N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine

C19H31NO — CID 116762389

IUPACN-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)C1(OCC)CCCC1
InChIInChI=1S/C19H31NO/c1-4-14-20-18(15-17-11-7-6-10-16(17)3)19(21-5-2)12-8-9-13-19/h6-7,10-11,18,20H,4-5,8-9,12-15H2,1-3H3
InChIKeyATAKCYXILXZTQT-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.26
Rot. Bonds8

About N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine

N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 116762389) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID116762389
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)C1(OCC)CCCC1
InChIInChI=1S/C19H31NO/c1-4-14-20-18(15-17-11-7-6-10-16(17)3)19(21-5-2)12-8-9-13-19/h6-7,10-11,18,20H,4-5,8-9,12-15H2,1-3H3
InChIKeyATAKCYXILXZTQT-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116714965
N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine
CID 79058648
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine
CID 105374330
N-[2-(2-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763369
N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 116762382
2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116762033
[2-(2,6-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105276343
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 116762893
N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
[1-(1-ethoxycyclopentyl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105275708
1-(1-ethoxycyclopentyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 116762402

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine (CID 116762389) is N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1C)C1(OCC)CCCC1.
What is the InChIKey of N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is ATAKCYXILXZTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-14-20-18(15-17-11-7-6-10-16(17)3)19(21-5-2)12-8-9-13-19/h6-7,10-11,18,20H,4-5,8-9,12-15H2,1-3H3.
What are the key properties of N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 116762389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).