N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine

C17H27NO — CID 104662798

IUPACN-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine
SMILESCCCOc1ccccc1C1CCC(NCC)C1C
InChIInChI=1S/C17H27NO/c1-4-12-19-17-9-7-6-8-15(17)14-10-11-16(13(14)3)18-5-2/h6-9,13-14,16,18H,4-5,10-12H2,1-3H3
InChIKeyOSDPYWTTWOFJMA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.97
Rot. Bonds6

About N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine

N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine (PubChem CID 104662798) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine
PubChem CID104662798
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine
SMILESCCCOc1ccccc1C1CCC(NCC)C1C
InChIInChI=1S/C17H27NO/c1-4-12-19-17-9-7-6-8-15(17)14-10-11-16(13(14)3)18-5-2/h6-9,13-14,16,18H,4-5,10-12H2,1-3H3
InChIKeyOSDPYWTTWOFJMA-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine
CID 104662479
N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine
CID 104663455
3-[3-(ethylamino)-2-methylcyclopentyl]pyridin-2-amine
CID 64907912
1-chloro-2-(2-propoxyphenyl)cycloheptane
CID 104662441
2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid
CID 104663378
1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene
CID 104662885
1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone
CID 43828941
N,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64908104
2-methyl-5-(2-propoxyphenyl)piperidine
CID 104662635
N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine
CID 113438529
2-methyl-N-[[2-(2-propoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 104663485
3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 64908122

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine (CID 104662798) is N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine is CCCOc1ccccc1C1CCC(NCC)C1C.
What is the InChIKey of N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine?
The InChIKey is OSDPYWTTWOFJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-12-19-17-9-7-6-8-15(17)14-10-11-16(13(14)3)18-5-2/h6-9,13-14,16,18H,4-5,10-12H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine?
N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 104662798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).