N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine

C19H31NO — CID 63475077

IUPACN-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COC1CCCCC1C)c1ccc(C)cc1
InChIInChI=1S/C19H31NO/c1-4-13-20-18(17-11-9-15(2)10-12-17)14-21-19-8-6-5-7-16(19)3/h9-12,16,18-20H,4-8,13-14H2,1-3H3
InChIKeySHBWDDZCWHHWJT-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.63
Rot. Bonds7

About N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine

N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine (PubChem CID 63475077) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine
PubChem CID63475077
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COC1CCCCC1C)c1ccc(C)cc1
InChIInChI=1S/C19H31NO/c1-4-13-20-18(17-11-9-15(2)10-12-17)14-21-19-8-6-5-7-16(19)3/h9-12,16,18-20H,4-8,13-14H2,1-3H3
InChIKeySHBWDDZCWHHWJT-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylcyclohexyl)oxyethanamine
CID 63473844
N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine
CID 63473660
N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine
CID 63473597
N-[1-cyclopentyl-2-(2-methylcyclohexyl)oxyethyl]propan-1-amine
CID 104748751
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63482314
N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine
CID 63827808
N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63484007
N-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 63475749
2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 43079704
N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine
CID 64633385
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495146
N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 63470309

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine (CID 63475077) is N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine is CCCNC(COC1CCCCC1C)c1ccc(C)cc1.
What is the InChIKey of N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine?
The InChIKey is SHBWDDZCWHHWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-13-20-18(17-11-9-15(2)10-12-17)14-21-19-8-6-5-7-16(19)3/h9-12,16,18-20H,4-8,13-14H2,1-3H3.
What are the key properties of N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine?
N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63475077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).