N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine

C19H31NO — CID 116762398

IUPACN-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1C)C1(OCC)CCCC1
InChIInChI=1S/C19H31NO/c1-5-13-20-18(17-10-9-15(3)14-16(17)4)19(21-6-2)11-7-8-12-19/h9-10,14,18,20H,5-8,11-13H2,1-4H3
InChIKeyLYBRPOHLCMKLDV-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.69
Rot. Bonds7

About N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine

N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine (PubChem CID 116762398) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
PubChem CID116762398
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1C)C1(OCC)CCCC1
InChIInChI=1S/C19H31NO/c1-5-13-20-18(17-10-9-15(3)14-16(17)4)19(21-6-2)11-7-8-12-19/h9-10,14,18,20H,5-8,11-13H2,1-4H3
InChIKeyLYBRPOHLCMKLDV-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764056
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
CID 116762384
N-[(1-ethoxycycloheptyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834029
(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methanol
CID 116753536
N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 116762140
N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
CID 116762278
N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 116762445
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
[(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105278412
N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine
CID 116764210

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine (CID 116762398) is N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1C)C1(OCC)CCCC1.
What is the InChIKey of N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine?
The InChIKey is LYBRPOHLCMKLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-13-20-18(17-10-9-15(3)14-16(17)4)19(21-6-2)11-7-8-12-19/h9-10,14,18,20H,5-8,11-13H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine?
N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 116762398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).