cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine

C16H25NO — CID 82296047

IUPACcyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine
SMILESCc1cc(C(N)C2CCCC2)ccc1OC(C)C
InChIInChI=1S/C16H25NO/c1-11(2)18-15-9-8-14(10-12(15)3)16(17)13-6-4-5-7-13/h8-11,13,16H,4-7,17H2,1-3H3
InChIKeyBKVNVKPNMXVKKU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.97
Rot. Bonds4

About cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine

cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine (PubChem CID 82296047) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Namecyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine
PubChem CID82296047
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Namecyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine
SMILESCc1cc(C(N)C2CCCC2)ccc1OC(C)C
InChIInChI=1S/C16H25NO/c1-11(2)18-15-9-8-14(10-12(15)3)16(17)13-6-4-5-7-13/h8-11,13,16H,4-7,17H2,1-3H3
InChIKeyBKVNVKPNMXVKKU-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709
(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
CID 171200491
cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 82086619
4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride
CID 171213118
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine
CID 171244198
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 82492417
(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine
CID 131581688
cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008
(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
CID 29010450
5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol
CID 171218830

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine (CID 82296047) is cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine is Cc1cc(C(N)C2CCCC2)ccc1OC(C)C.
What is the InChIKey of cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine?
The InChIKey is BKVNVKPNMXVKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)18-15-9-8-14(10-12(15)3)16(17)13-6-4-5-7-13/h8-11,13,16H,4-7,17H2,1-3H3.
What are the key properties of cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine?
cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 82296047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).