N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine

C19H31NO — CID 115464540

IUPACN-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccccc1COC1CCCCC1C
InChIInChI=1S/C19H31NO/c1-15(2)20-13-12-17-9-5-6-10-18(17)14-21-19-11-7-4-8-16(19)3/h5-6,9-10,15-16,19-20H,4,7-8,11-14H2,1-3H3
InChIKeyIIKPTMGNKXAFGQ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.32
Rot. Bonds7

About N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine

N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine (PubChem CID 115464540) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine
PubChem CID115464540
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccccc1COC1CCCCC1C
InChIInChI=1S/C19H31NO/c1-15(2)20-13-12-17-9-5-6-10-18(17)14-21-19-11-7-4-8-16(19)3/h5-6,9-10,15-16,19-20H,4,7-8,11-14H2,1-3H3
InChIKeyIIKPTMGNKXAFGQ-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 115464536
N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115464510
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
2-[2-(2-methylcyclohexyl)oxyethyl]aniline
CID 62497263
N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine
CID 62445863
N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115465016
N-[2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]propan-2-amine
CID 115463794
N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine
CID 115464481
2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 115464442
N-[2-[2-(2-methylpentoxymethyl)phenyl]ethyl]propan-2-amine
CID 103285683
N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 105349289
N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine
CID 62108282

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine (CID 115464540) is N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine is CC(C)NCCc1ccccc1COC1CCCCC1C.
What is the InChIKey of N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine?
The InChIKey is IIKPTMGNKXAFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)20-13-12-17-9-5-6-10-18(17)14-21-19-11-7-4-8-16(19)3/h5-6,9-10,15-16,19-20H,4,7-8,11-14H2,1-3H3.
What are the key properties of N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine?
N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 115464540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).