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

C18H29NO — CID 107188648

IUPACN-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OCC)C1CCCC1C
InChIInChI=1S/C18H29NO/c1-4-13-19-18(15-11-8-9-14(15)3)16-10-6-7-12-17(16)20-5-2/h6-7,10,12,14-15,18-19H,4-5,8-9,11,13H2,1-3H3
InChIKeySQUWINWOMQEXIK-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.56
Rot. Bonds7

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

N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 107188648) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
PubChem CID107188648
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OCC)C1CCCC1C
InChIInChI=1S/C18H29NO/c1-4-13-19-18(15-11-8-9-14(15)3)16-10-6-7-12-17(16)20-5-2/h6-7,10,12,14-15,18-19H,4-5,8-9,11,13H2,1-3H3
InChIKeySQUWINWOMQEXIK-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)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
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191403
N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188961
N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177529
N-[6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792664
N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114603534
N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine
CID 115853710
N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 107178295
N-[(2-ethoxy-5-methylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 62303505
1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416791
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine (CID 107188648) is N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1ccccc1OCC)C1CCCC1C.
What is the InChIKey of N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is SQUWINWOMQEXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-13-19-18(15-11-8-9-14(15)3)16-10-6-7-12-17(16)20-5-2/h6-7,10,12,14-15,18-19H,4-5,8-9,11,13H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 107188648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).