1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol

C14H23NO — CID 142673140

IUPAC1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1cccc(C(C)C)c1
InChIInChI=1S/C14H23NO/c1-4-14(16)10-15-9-12-6-5-7-13(8-12)11(2)3/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyFBCSPEJAAXJGSC-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.67
Rot. Bonds6

About 1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol

1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol (PubChem CID 142673140) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol
PubChem CID142673140
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1cccc(C(C)C)c1
InChIInChI=1S/C14H23NO/c1-4-14(16)10-15-9-12-6-5-7-13(8-12)11(2)3/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyFBCSPEJAAXJGSC-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-ethylphenyl)methylamino]butan-2-ol
CID 142241799
1-[(3-ethoxyphenyl)methylamino]butan-2-ol
CID 60884367
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol;dihydrochloride
CID 57487288
1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776
3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol
CID 114093162
3-[[(3-propan-2-ylphenyl)methylamino]methyl]benzoic acid
CID 122033043
1-(pyridin-3-ylmethylamino)butan-2-ol
CID 18726795
N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine
CID 115526613
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
CID 103631788

Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol?
The IUPAC name of 1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol (CID 142673140) is 1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol.
What is the SMILES notation for 1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol?
The canonical SMILES for 1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol is CCC(O)CNCc1cccc(C(C)C)c1.
What is the InChIKey of 1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol?
The InChIKey is FBCSPEJAAXJGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-14(16)10-15-9-12-6-5-7-13(8-12)11(2)3/h5-8,11,14-16H,4,9-10H2,1-3H3.
What are the key properties of 1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol?
1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol is sourced from PubChem (CID 142673140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).