N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine

C18H29NO — CID 116762306

IUPACN-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)C1(OCC)CCCC1
InChIInChI=1S/C18H29NO/c1-5-19-17(16-10-9-14(3)15(4)13-16)18(20-6-2)11-7-8-12-18/h9-10,13,17,19H,5-8,11-12H2,1-4H3
InChIKeyRTWFTCUSPZKXDA-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.30
Rot. Bonds6

About N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine

N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine (PubChem CID 116762306) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
PubChem CID116762306
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)C1(OCC)CCCC1
InChIInChI=1S/C18H29NO/c1-5-19-17(16-10-9-14(3)15(4)13-16)18(20-6-2)11-7-8-12-18/h9-10,13,17,19H,5-8,11-12H2,1-4H3
InChIKeyRTWFTCUSPZKXDA-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125
N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine
CID 116771021
N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
CID 116762278
N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764056
1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116770881
N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116764137
[(1-ethoxycyclohexyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130905
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 116762445
N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 116762140

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine (CID 116762306) is N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine is CCNC(c1ccc(C)c(C)c1)C1(OCC)CCCC1.
What is the InChIKey of N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine?
The InChIKey is RTWFTCUSPZKXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-17(16-10-9-14(3)15(4)13-16)18(20-6-2)11-7-8-12-18/h9-10,13,17,19H,5-8,11-12H2,1-4H3.
What are the key properties of N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine?
N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine is sourced from PubChem (CID 116762306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).