N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine

C19H31NO — CID 65423233

IUPACN-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)C1CCC(C(C)C)CC1
InChIInChI=1S/C19H31NO/c1-5-20-19(17-10-12-18(21-4)13-11-17)16-8-6-15(7-9-16)14(2)3/h10-16,19-20H,5-9H2,1-4H3
InChIKeyGGEUGVNXQOEDNZ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.81
Rot. Bonds6

About N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine

N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine (PubChem CID 65423233) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
PubChem CID65423233
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)C1CCC(C(C)C)CC1
InChIInChI=1S/C19H31NO/c1-5-20-19(17-10-12-18(21-4)13-11-17)16-8-6-15(7-9-16)14(2)3/h10-16,19-20H,5-9H2,1-4H3
InChIKeyGGEUGVNXQOEDNZ-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine
CID 115898527
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609
N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63508835
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098
3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile
CID 60713387
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 64593325

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine (CID 65423233) is N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1)C1CCC(C(C)C)CC1.
What is the InChIKey of N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
The InChIKey is GGEUGVNXQOEDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-20-19(17-10-12-18(21-4)13-11-17)16-8-6-15(7-9-16)14(2)3/h10-16,19-20H,5-9H2,1-4H3.
What are the key properties of N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 65423233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).