1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine

C16H25NO — CID 82295969

IUPAC1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine
SMILESCNC1(c2ccc(OC)c(C(C)C)c2)CCCC1
InChIInChI=1S/C16H25NO/c1-12(2)14-11-13(7-8-15(14)18-4)16(17-3)9-5-6-10-16/h7-8,11-12,17H,5-6,9-10H2,1-4H3
InChIKeyFFXLWMQGIVQNQM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.81
Rot. Bonds4

About 1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine

1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine (PubChem CID 82295969) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine
PubChem CID82295969
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine
SMILESCNC1(c2ccc(OC)c(C(C)C)c2)CCCC1
InChIInChI=1S/C16H25NO/c1-12(2)14-11-13(7-8-15(14)18-4)16(17-3)9-5-6-10-16/h7-8,11-12,17H,5-6,9-10H2,1-4H3
InChIKeyFFXLWMQGIVQNQM-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 82298649
1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine
CID 83688403
N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112519339
[1-(4-methoxy-3-propan-2-ylphenyl)-2-methylcyclopropyl]methanol
CID 116842467
[4-(4-methoxy-3-propan-2-ylphenyl)piperidin-4-yl]methanol
CID 82486093
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117410626
1-chloro-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylmethanamine
CID 116962055
1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117339161
3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 94683968
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine?
The IUPAC name of 1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine (CID 82295969) is 1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine is CNC1(c2ccc(OC)c(C(C)C)c2)CCCC1.
What is the InChIKey of 1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine?
The InChIKey is FFXLWMQGIVQNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)14-11-13(7-8-15(14)18-4)16(17-3)9-5-6-10-16/h7-8,11-12,17H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine?
1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 82295969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).