1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine

C17H27NO3 — CID 61343582

IUPAC1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)cc(OC)c1OCC1CCCC1
InChIInChI=1S/C17H27NO3/c1-12(18)8-14-9-15(19-2)17(16(10-14)20-3)21-11-13-6-4-5-7-13/h9-10,12-13H,4-8,11,18H2,1-3H3
InChIKeyNZGCTOLSQKQPHI-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.16
Rot. Bonds7

About 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine

1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine (PubChem CID 61343582) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine
PubChem CID61343582
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)cc(OC)c1OCC1CCCC1
InChIInChI=1S/C17H27NO3/c1-12(18)8-14-9-15(19-2)17(16(10-14)20-3)21-11-13-6-4-5-7-13/h9-10,12-13H,4-8,11,18H2,1-3H3
InChIKeyNZGCTOLSQKQPHI-UHFFFAOYSA-N
XLogP3.16
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-bromo-4-(cyclobutylmethoxy)-5-methoxyphenyl]propan-2-amine
CID 65459301
1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine
CID 61342285
1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60906720
[4-(cyclohexylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 15752535
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 61342425
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 65458991
1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine
CID 65364643
1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843
1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63535191
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine
CID 61344623
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62103493

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine?
The IUPAC name of 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine (CID 61343582) is 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine is COc1cc(CC(C)N)cc(OC)c1OCC1CCCC1.
What is the InChIKey of 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine?
The InChIKey is NZGCTOLSQKQPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(18)8-14-9-15(19-2)17(16(10-14)20-3)21-11-13-6-4-5-7-13/h9-10,12-13H,4-8,11,18H2,1-3H3.
What are the key properties of 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine?
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine is sourced from PubChem (CID 61343582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).