N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine

C17H27ClN2 — CID 114848665

IUPACN-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCN1c1ccc(Cl)cc1CNCC(C)C
InChIInChI=1S/C17H27ClN2/c1-4-16-6-5-9-20(16)17-8-7-15(18)10-14(17)12-19-11-13(2)3/h7-8,10,13,16,19H,4-6,9,11-12H2,1-3H3
InChIKeyIXTLWHMQHYLINO-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.46
Rot. Bonds6

About N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine

N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 114848665) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID114848665
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCN1c1ccc(Cl)cc1CNCC(C)C
InChIInChI=1S/C17H27ClN2/c1-4-16-6-5-9-20(16)17-8-7-15(18)10-14(17)12-19-11-13(2)3/h7-8,10,13,16,19H,4-6,9,11-12H2,1-3H3
InChIKeyIXTLWHMQHYLINO-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-2-(2-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114847936
N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63059353
N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63059703
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114848840
[1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 63060776
N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114924876
N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54886079
3-[1-[4-chloro-2-(propylaminomethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 114850672
N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-chlorophenyl]methyl]ethanamine
CID 114851923
[1-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 114853905
N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313933
5-chloro-2-(2-ethylpiperidin-1-yl)benzaldehyde
CID 114843917

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (CID 114848665) is N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is CCC1CCCN1c1ccc(Cl)cc1CNCC(C)C.
What is the InChIKey of N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is IXTLWHMQHYLINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-16-6-5-9-20(16)17-8-7-15(18)10-14(17)12-19-11-13(2)3/h7-8,10,13,16,19H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114848665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).