N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine

C17H27NO — CID 62802061

IUPACN-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OCC)C1CCCC1
InChIInChI=1S/C17H27NO/c1-3-13-18-17(14-9-5-6-10-14)15-11-7-8-12-16(15)19-4-2/h7-8,11-12,14,17-18H,3-6,9-10,13H2,1-2H3
InChIKeyDCZHHEYRQFLHND-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.32
Rot. Bonds7

About N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine

N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine (PubChem CID 62802061) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
PubChem CID62802061
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OCC)C1CCCC1
InChIInChI=1S/C17H27NO/c1-3-13-18-17(14-9-5-6-10-14)15-11-7-8-12-16(15)19-4-2/h7-8,11-12,14,17-18H,3-6,9-10,13H2,1-2H3
InChIKeyDCZHHEYRQFLHND-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
1-cyclopentyl-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 62801897
N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188648
N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
CID 104748399
N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine
CID 104660281
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63413337
N-[1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 104748610
N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105080054
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 64986702
N-[6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792664
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine (CID 62802061) is N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1OCC)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine?
The InChIKey is DCZHHEYRQFLHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-13-18-17(14-9-5-6-10-14)15-11-7-8-12-16(15)19-4-2/h7-8,11-12,14,17-18H,3-6,9-10,13H2,1-2H3.
What are the key properties of N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine?
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 62802061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).