2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine

C17H27NO — CID 104662479

IUPAC2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1c1ccccc1OCCC
InChIInChI=1S/C17H27NO/c1-3-12-18-16-10-7-9-14(16)15-8-5-6-11-17(15)19-13-4-2/h5-6,8,11,14,16,18H,3-4,7,9-10,12-13H2,1-2H3
InChIKeyZEXKRTHMQXIEOG-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.11
Rot. Bonds7

About 2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine

2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine (PubChem CID 104662479) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine
PubChem CID104662479
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1c1ccccc1OCCC
InChIInChI=1S/C17H27NO/c1-3-12-18-16-10-7-9-14(16)15-8-5-6-11-17(15)19-13-4-2/h5-6,8,11,14,16,18H,3-4,7,9-10,12-13H2,1-2H3
InChIKeyZEXKRTHMQXIEOG-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine
CID 114605846
4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol
CID 166350069
1-chloro-2-(2-propoxyphenyl)cycloheptane
CID 104662441
N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine
CID 104662798
2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid
CID 104663378
N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine
CID 113438529
2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine
CID 104662480
N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine
CID 104663479
2-methyl-N-[[2-(2-propoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 104663485
2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine
CID 63510315
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine
CID 104663455

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine (CID 104662479) is 2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine is CCCNC1CCCC1c1ccccc1OCCC.
What is the InChIKey of 2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine?
The InChIKey is ZEXKRTHMQXIEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-12-18-16-10-7-9-14(16)15-8-5-6-11-17(15)19-13-4-2/h5-6,8,11,14,16,18H,3-4,7,9-10,12-13H2,1-2H3.
What are the key properties of 2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine?
2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 104662479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).