3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol

C16H25NO2 — CID 115898508

IUPAC3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
SMILESCCC(CCO)NC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C16H25NO2/c1-3-14(10-11-18)17-16(12-4-5-12)13-6-8-15(19-2)9-7-13/h6-9,12,14,16-18H,3-5,10-11H2,1-2H3
InChIKeyNGZJZBXMPWUSGA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.90
Rot. Bonds8

About 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol

3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol (PubChem CID 115898508) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol.

Molecular Properties

Compound Name3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
PubChem CID115898508
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
SMILESCCC(CCO)NC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C16H25NO2/c1-3-14(10-11-18)17-16(12-4-5-12)13-6-8-15(19-2)9-7-13/h6-9,12,14,16-18H,3-5,10-11H2,1-2H3
InChIKeyNGZJZBXMPWUSGA-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 61468819
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol
CID 103910921
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 103714492
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 65229389
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 79348785
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281955

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol?
The IUPAC name of 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol (CID 115898508) is 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol.
What is the SMILES notation for 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol?
The canonical SMILES for 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol is CCC(CCO)NC(c1ccc(OC)cc1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol?
The InChIKey is NGZJZBXMPWUSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-14(10-11-18)17-16(12-4-5-12)13-6-8-15(19-2)9-7-13/h6-9,12,14,16-18H,3-5,10-11H2,1-2H3.
What are the key properties of 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol?
3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol is sourced from PubChem (CID 115898508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).