N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine

C15H23NO — CID 65447286

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine
SMILESCOc1ccc(CCNC2(C)CCCC2)cc1
InChIInChI=1S/C15H23NO/c1-15(10-3-4-11-15)16-12-9-13-5-7-14(17-2)8-6-13/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyPTXPVXLLRLEGGH-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.16
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine

N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine (PubChem CID 65447286) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine
PubChem CID65447286
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine
SMILESCOc1ccc(CCNC2(C)CCCC2)cc1
InChIInChI=1S/C15H23NO/c1-15(10-3-4-11-15)16-12-9-13-5-7-14(17-2)8-6-13/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyPTXPVXLLRLEGGH-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline
CID 64687654
1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile
CID 28702701
N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365160
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 60897688
1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine
CID 111110207
N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine
CID 82722149
3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine
CID 115864749
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115245897
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 110936434
[3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propyl]hydrazine
CID 106831235

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine (CID 65447286) is N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine is COc1ccc(CCNC2(C)CCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine?
The InChIKey is PTXPVXLLRLEGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(10-3-4-11-15)16-12-9-13-5-7-14(17-2)8-6-13/h5-8,16H,3-4,9-12H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine?
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 65447286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).