1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine

C16H25NO — CID 117371838

IUPAC1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(CC(C)(C)N)cc1C1CCCC1
InChIInChI=1S/C16H25NO/c1-16(2,17)11-12-8-9-15(18-3)14(10-12)13-6-4-5-7-13/h8-10,13H,4-7,11,17H2,1-3H3
InChIKeyFYDLVIQJRDGJEK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.63
Rot. Bonds4

About 1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine

1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 117371838) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID117371838
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(CC(C)(C)N)cc1C1CCCC1
InChIInChI=1S/C16H25NO/c1-16(2,17)11-12-8-9-15(18-3)14(10-12)13-6-4-5-7-13/h8-10,13H,4-7,11,17H2,1-3H3
InChIKeyFYDLVIQJRDGJEK-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[2-(3-cyclohexyl-4-methoxyphenyl)ethyl]hydroxylamine
CID 117377552
4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine
CID 117408603
1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
CID 83698352
2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine
CID 117371991
1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine
CID 117482437
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117317079
1-(4-methoxy-3-methylsulfanylphenyl)-2-methylpropan-2-amine
CID 117324234
3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid
CID 117442816
1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117408759
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine (CID 117371838) is 1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine is COc1ccc(CC(C)(C)N)cc1C1CCCC1.
What is the InChIKey of 1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is FYDLVIQJRDGJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,17)11-12-8-9-15(18-3)14(10-12)13-6-4-5-7-13/h8-10,13H,4-7,11,17H2,1-3H3.
What are the key properties of 1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine?
1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117371838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).