N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine

C17H27NO — CID 80705379

IUPACN-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCOc1ccc(C(C)NC2CCC(C)(C)C2)cc1
InChIInChI=1S/C17H27NO/c1-5-19-16-8-6-14(7-9-16)13(2)18-15-10-11-17(3,4)12-15/h6-9,13,15,18H,5,10-12H2,1-4H3
InChIKeyNVJFDNXNJPCGRW-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.31
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine

N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 80705379) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID80705379
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCOc1ccc(C(C)NC2CCC(C)(C)C2)cc1
InChIInChI=1S/C17H27NO/c1-5-19-16-8-6-14(7-9-16)13(2)18-15-10-11-17(3,4)12-15/h6-9,13,15,18H,5,10-12H2,1-4H3
InChIKeyNVJFDNXNJPCGRW-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine
CID 81350463
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860500
N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64500026
3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 80705463
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine
CID 81350839
N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine
CID 65081646
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80706040
N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
CID 65070030
4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349448
4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748803
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine (CID 80705379) is N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine is CCOc1ccc(C(C)NC2CCC(C)(C)C2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is NVJFDNXNJPCGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-19-16-8-6-14(7-9-16)13(2)18-15-10-11-17(3,4)12-15/h6-9,13,15,18H,5,10-12H2,1-4H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80705379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).