(2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine

C18H24FN3 — CID 129475765

IUPAC(2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine
SMILESC[C@H](CCc1ccccc1F)NC[C@@H]1CCc2nccn2C1
InChIInChI=1S/C18H24FN3/c1-14(6-8-16-4-2-3-5-17(16)19)21-12-15-7-9-18-20-10-11-22(18)13-15/h2-5,10-11,14-15,21H,6-9,12-13H2,1H3/t14-,15+/m1/s1
InChIKeyWETMZMNNUCRMSE-CABCVRRESA-N
MW301.41 g/mol
LogP3.20
Rot. Bonds6

About (2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine

(2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine (PubChem CID 129475765) has the molecular formula C18H24FN3 and a molecular weight of 301.41 g/mol. Its IUPAC name is (2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine
PubChem CID129475765
Molecular FormulaC18H24FN3
Molecular Weight301.41 g/mol
Exact Mass301.20
IUPAC Name(2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine
SMILESC[C@H](CCc1ccccc1F)NC[C@@H]1CCc2nccn2C1
InChIInChI=1S/C18H24FN3/c1-14(6-8-16-4-2-3-5-17(16)19)21-12-15-7-9-18-20-10-11-22(18)13-15/h2-5,10-11,14-15,21H,6-9,12-13H2,1H3/t14-,15+/m1/s1
InChIKeyWETMZMNNUCRMSE-CABCVRRESA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)propan-2-amine
CID 131134209
(2R)-1-methoxy-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propan-2-amine
CID 129334490
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
CID 128992936
2-(2-fluorophenyl)-N-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 129336314
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129474044
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 114829632
2,4-difluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 128995704
1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 129474085
1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 129474083
3-ethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-carboxamide
CID 129472100
N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-5-carboxamide
CID 129472235

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine?
The IUPAC name of (2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine (CID 129475765) is (2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine.
What is the SMILES notation for (2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine?
The canonical SMILES for (2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine is C[C@H](CCc1ccccc1F)NC[C@@H]1CCc2nccn2C1.
What is the InChIKey of (2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine?
The InChIKey is WETMZMNNUCRMSE-CABCVRRESA-N. The full InChI is InChI=1S/C18H24FN3/c1-14(6-8-16-4-2-3-5-17(16)19)21-12-15-7-9-18-20-10-11-22(18)13-15/h2-5,10-11,14-15,21H,6-9,12-13H2,1H3/t14-,15+/m1/s1.
What are the key properties of (2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine?
(2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine has a molecular weight of 301.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-fluorophenyl)-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]butan-2-amine is sourced from PubChem (CID 129475765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).