N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine

C19H31NO — CID 116764251

IUPACN-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C)C1(OCC)CCCCC1
InChIInChI=1S/C19H31NO/c1-4-15-20-18(17-12-8-7-11-16(17)3)19(21-5-2)13-9-6-10-14-19/h7-8,11-12,18,20H,4-6,9-10,13-15H2,1-3H3
InChIKeyHXNGGEMUWPAUQJ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.78
Rot. Bonds7

About N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine

N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine (PubChem CID 116764251) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
PubChem CID116764251
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C)C1(OCC)CCCCC1
InChIInChI=1S/C19H31NO/c1-4-15-20-18(17-12-8-7-11-16(17)3)19(21-5-2)13-9-6-10-14-19/h7-8,11-12,18,20H,4-6,9-10,13-15H2,1-3H3
InChIKeyHXNGGEMUWPAUQJ-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
CID 116762278
N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
CID 116762398
N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
N-[(1-ethoxycycloheptyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834029
N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115795037
N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116762389
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764056
N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763409
N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 104611341
N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine
CID 116764210
[(2,3-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276240

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine (CID 116764251) is N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1C)C1(OCC)CCCCC1.
What is the InChIKey of N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine?
The InChIKey is HXNGGEMUWPAUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-15-20-18(17-12-8-7-11-16(17)3)19(21-5-2)13-9-6-10-14-19/h7-8,11-12,18,20H,4-6,9-10,13-15H2,1-3H3.
What are the key properties of N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine?
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 116764251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).