3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol

C13H19NO — CID 79977505

IUPAC3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1ccc(C2CC2)cc1
InChIInChI=1S/C13H19NO/c1-14-13(8-9-15)12-6-4-11(5-7-12)10-2-3-10/h4-7,10,13-15H,2-3,8-9H2,1H3
InChIKeyGRFBYNOVZQWHFF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.21
Rot. Bonds5

About 3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol

3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol (PubChem CID 79977505) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol
PubChem CID79977505
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1ccc(C2CC2)cc1
InChIInChI=1S/C13H19NO/c1-14-13(8-9-15)12-6-4-11(5-7-12)10-2-3-10/h4-7,10,13-15H,2-3,8-9H2,1H3
InChIKeyGRFBYNOVZQWHFF-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclopropylphenyl)-2-(methylamino)ethanol
CID 79980509
3-(4-bromophenyl)-3-(methylamino)propan-1-ol
CID 64814914
1-(4-cyclohexylphenyl)-N-methylpentan-1-amine
CID 43484983
4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile
CID 116955276
4-amino-3-(4-cyclopropylphenyl)pentan-1-ol
CID 79977799
1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 116506276
3-(methylamino)-3-(4-phenylphenyl)propan-1-ol
CID 64813021
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 95445608
1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine
CID 43484998
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 64813643
1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine
CID 105045068
3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64814917

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol (CID 79977505) is 3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol is CNC(CCO)c1ccc(C2CC2)cc1.
What is the InChIKey of 3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol?
The InChIKey is GRFBYNOVZQWHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-13(8-9-15)12-6-4-11(5-7-12)10-2-3-10/h4-7,10,13-15H,2-3,8-9H2,1H3.
What are the key properties of 3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol?
3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 79977505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).