cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine

C16H25NO — CID 82086619

IUPACcyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine
SMILESCOc1ccc(C(N)C2CCCC2)cc1C(C)C
InChIInChI=1S/C16H25NO/c1-11(2)14-10-13(8-9-15(14)18-3)16(17)12-6-4-5-7-12/h8-12,16H,4-7,17H2,1-3H3
InChIKeyNFWQXOLEXFCSKX-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.01
Rot. Bonds4

About cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine

cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine (PubChem CID 82086619) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Namecyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine
PubChem CID82086619
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Namecyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine
SMILESCOc1ccc(C(N)C2CCCC2)cc1C(C)C
InChIInChI=1S/C16H25NO/c1-11(2)14-10-13(8-9-15(14)18-3)16(17)12-6-4-5-7-12/h8-12,16H,4-7,17H2,1-3H3
InChIKeyNFWQXOLEXFCSKX-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-3-yl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 116935299
(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
CID 29010450
5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol
CID 171218830
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine
CID 82296047
5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 79697209
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine?
The IUPAC name of cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine (CID 82086619) is cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine.
What is the SMILES notation for cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine?
The canonical SMILES for cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine is COc1ccc(C(N)C2CCCC2)cc1C(C)C.
What is the InChIKey of cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine?
The InChIKey is NFWQXOLEXFCSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)14-10-13(8-9-15(14)18-3)16(17)12-6-4-5-7-12/h8-12,16H,4-7,17H2,1-3H3.
What are the key properties of cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine?
cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine has a molecular weight of 247.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 82086619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).