N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine

C19H31NO — CID 116766686

IUPACN-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)C1(OC)CCC(C)CC1
InChIInChI=1S/C19H31NO/c1-6-20-18(17-12-15(3)11-16(4)13-17)19(21-5)9-7-14(2)8-10-19/h11-14,18,20H,6-10H2,1-5H3
InChIKeyYHYJOJMVUUOSBH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.55
Rot. Bonds5

About N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine

N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine (PubChem CID 116766686) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
PubChem CID116766686
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)C1(OC)CCC(C)CC1
InChIInChI=1S/C19H31NO/c1-6-20-18(17-12-15(3)11-16(4)13-17)19(21-5)9-7-14(2)8-10-19/h11-14,18,20H,6-10H2,1-5H3
InChIKeyYHYJOJMVUUOSBH-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116766612
N-[(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113432853
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766647
N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116763272
[(3,5-dimethylphenyl)-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268838
N-[(1-ethoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 116767269
N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765061
N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 116766820
N-[(1-ethoxy-4-methylcyclohexyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833988
1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766426
N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680926

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine (CID 116766686) is N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine is CCNC(c1cc(C)cc(C)c1)C1(OC)CCC(C)CC1.
What is the InChIKey of N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is YHYJOJMVUUOSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-20-18(17-12-15(3)11-16(4)13-17)19(21-5)9-7-14(2)8-10-19/h11-14,18,20H,6-10H2,1-5H3.
What are the key properties of N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine?
N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 116766686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).