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

C16H25NO2 — CID 103714492

IUPAC5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
SMILESCOc1ccc(C(NCCCCCO)C2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-19-15-9-7-14(8-10-15)16(13-5-6-13)17-11-3-2-4-12-18/h7-10,13,16-18H,2-6,11-12H2,1H3
InChIKeyLHCXLBVUHWBIIV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.90
Rot. Bonds9

About 5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol

5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol (PubChem CID 103714492) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
PubChem CID103714492
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
SMILESCOc1ccc(C(NCCCCCO)C2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-19-15-9-7-14(8-10-15)16(13-5-6-13)17-11-3-2-4-12-18/h7-10,13,16-18H,2-6,11-12H2,1H3
InChIKeyLHCXLBVUHWBIIV-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 60894909
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
4-[3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propoxy]benzonitrile
CID 112840952
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768001
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 115898508
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61040330

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol?
The IUPAC name of 5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol (CID 103714492) is 5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol is COc1ccc(C(NCCCCCO)C2CC2)cc1.
What is the InChIKey of 5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol?
The InChIKey is LHCXLBVUHWBIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-19-15-9-7-14(8-10-15)16(13-5-6-13)17-11-3-2-4-12-18/h7-10,13,16-18H,2-6,11-12H2,1H3.
What are the key properties of 5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol?
5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol is sourced from PubChem (CID 103714492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).