(2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol

C15H22FNO — CID 69458844

IUPAC(2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NC(c1ccccc1F)C1CC1
InChIInChI=1S/C15H22FNO/c1-10(2)14(9-18)17-15(11-7-8-11)12-5-3-4-6-13(12)16/h3-6,10-11,14-15,17-18H,7-9H2,1-2H3/t14-,15?/m1/s1
InChIKeyNMVDDCOWLMGDAR-GICMACPYSA-N
MW251.34 g/mol
LogP2.88
Rot. Bonds6

About (2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol

(2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol (PubChem CID 69458844) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol
PubChem CID69458844
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NC(c1ccccc1F)C1CC1
InChIInChI=1S/C15H22FNO/c1-10(2)14(9-18)17-15(11-7-8-11)12-5-3-4-6-13(12)16/h3-6,10-11,14-15,17-18H,7-9H2,1-2H3/t14-,15?/m1/s1
InChIKeyNMVDDCOWLMGDAR-GICMACPYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253650
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177
1-(1-cyclopropylethyl)-2-fluorobenzene
CID 126566249
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid
CID 116953971
2-(2-fluoroanilino)-3-methylbutan-1-ol
CID 61317704
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 97053712
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 71972268
N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 54983114
1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65400352
2-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253658

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol (CID 69458844) is (2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)NC(c1ccccc1F)C1CC1.
What is the InChIKey of (2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol?
The InChIKey is NMVDDCOWLMGDAR-GICMACPYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10(2)14(9-18)17-15(11-7-8-11)12-5-3-4-6-13(12)16/h3-6,10-11,14-15,17-18H,7-9H2,1-2H3/t14-,15?/m1/s1.
What are the key properties of (2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol?
(2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol has a molecular weight of 251.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[cyclopropyl-(2-fluorophenyl)methyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 69458844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).