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

C18H29NO2 — CID 104611341

IUPACN-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OCC)C1(OC)CCCC1
InChIInChI=1S/C18H29NO2/c1-4-14-19-17(18(20-3)12-8-9-13-18)15-10-6-7-11-16(15)21-5-2/h6-7,10-11,17,19H,4-5,8-9,12-14H2,1-3H3
InChIKeyARBZFFPPZQGFOV-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.09
Rot. Bonds8

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

N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine (PubChem CID 104611341) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine
PubChem CID104611341
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OCC)C1(OC)CCCC1
InChIInChI=1S/C18H29NO2/c1-4-14-19-17(18(20-3)12-8-9-13-18)15-10-6-7-11-16(15)21-5-2/h6-7,10-11,17,19H,4-5,8-9,12-14H2,1-3H3
InChIKeyARBZFFPPZQGFOV-UHFFFAOYSA-N
XLogP4.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763409
N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714897
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine
CID 116763449
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116763483
N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 116714736
N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 116770493
N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714856
N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
CID 116763351

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine (CID 104611341) is N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine is CCCNC(c1ccccc1OCC)C1(OC)CCCC1.
What is the InChIKey of N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine?
The InChIKey is ARBZFFPPZQGFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-14-19-17(18(20-3)12-8-9-13-18)15-10-6-7-11-16(15)21-5-2/h6-7,10-11,17,19H,4-5,8-9,12-14H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine?
N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 104611341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).