2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine

C19H31NO — CID 63450563

IUPAC2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine
SMILESCC(C)CCOc1ccc(CNCCC2CCCC2)cc1
InChIInChI=1S/C19H31NO/c1-16(2)12-14-21-19-9-7-18(8-10-19)15-20-13-11-17-5-3-4-6-17/h7-10,16-17,20H,3-6,11-15H2,1-2H3
InChIKeyCTJSXLCVHFWDFB-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.78
Rot. Bonds9

About 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine

2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine (PubChem CID 63450563) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine
PubChem CID63450563
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine
SMILESCC(C)CCOc1ccc(CNCCC2CCCC2)cc1
InChIInChI=1S/C19H31NO/c1-16(2)12-14-21-19-9-7-18(8-10-19)15-20-13-11-17-5-3-4-6-17/h7-10,16-17,20H,3-6,11-15H2,1-2H3
InChIKeyCTJSXLCVHFWDFB-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 115690193
N'-[[4-(3-methylbutoxy)phenyl]methyl]propane-1,3-diamine
CID 60888382
N-(cyclohexylmethyl)-4-(3-methylbutoxy)aniline
CID 54799314
2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol
CID 103859561
N-[2-[[4-(3-methylbutoxy)phenyl]methylamino]ethyl]methanesulfonamide
CID 29270866
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721
2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 60732889
N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 106205797
2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 63063741
2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 106289896
N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide
CID 60926493
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine (CID 63450563) is 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine is CC(C)CCOc1ccc(CNCCC2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine?
The InChIKey is CTJSXLCVHFWDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-16(2)12-14-21-19-9-7-18(8-10-19)15-20-13-11-17-5-3-4-6-17/h7-10,16-17,20H,3-6,11-15H2,1-2H3.
What are the key properties of 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine?
2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63450563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).