3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol

C15H23NO — CID 115919440

IUPAC3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CC1c1ccccc1
InChIInChI=1S/C15H23NO/c1-3-15(17,4-2)11-16-14-10-13(14)12-8-6-5-7-9-12/h5-9,13-14,16-17H,3-4,10-11H2,1-2H3
InChIKeyKCGDZTAKFUTWKP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.68
Rot. Bonds6

About 3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol

3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol (PubChem CID 115919440) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol
PubChem CID115919440
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CC1c1ccccc1
InChIInChI=1S/C15H23NO/c1-3-15(17,4-2)11-16-14-10-13(14)12-8-6-5-7-9-12/h5-9,13-14,16-17H,3-4,10-11H2,1-2H3
InChIKeyKCGDZTAKFUTWKP-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105347
2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol
CID 81411044
3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol
CID 65108444
(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol
CID 106932009
trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine
CID 67064917
N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine
CID 81093085
1-(4-ethylpiperazin-1-yl)-2-[(2-phenylcyclopropyl)amino]ethanone
CID 66978917
2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol
CID 106252164
2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine
CID 62340040
2-N-methyl-1-N-(2-phenylcyclopropyl)propane-1,2-diamine
CID 62632238
2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide
CID 114290562
tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate
CID 103244657

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol (CID 115919440) is 3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNC1CC1c1ccccc1.
What is the InChIKey of 3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol?
The InChIKey is KCGDZTAKFUTWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-15(17,4-2)11-16-14-10-13(14)12-8-6-5-7-9-12/h5-9,13-14,16-17H,3-4,10-11H2,1-2H3.
What are the key properties of 3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol?
3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol has a molecular weight of 233.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 115919440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).