1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine

C19H31NO — CID 54804387

IUPAC1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine
SMILESCCC(C)Oc1ccccc1C(C)NCC1CCCCC1
InChIInChI=1S/C19H31NO/c1-4-15(2)21-19-13-9-8-12-18(19)16(3)20-14-17-10-6-5-7-11-17/h8-9,12-13,15-17,20H,4-7,10-11,14H2,1-3H3
InChIKeyFQOOEUFETQOTNM-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.09
Rot. Bonds7

About 1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine

1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine (PubChem CID 54804387) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine
PubChem CID54804387
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine
SMILESCCC(C)Oc1ccccc1C(C)NCC1CCCCC1
InChIInChI=1S/C19H31NO/c1-4-15(2)21-19-13-9-8-12-18(19)16(3)20-14-17-10-6-5-7-11-17/h8-9,12-13,15-17,20H,4-7,10-11,14H2,1-3H3
InChIKeyFQOOEUFETQOTNM-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735006
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357
(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377152
N-(cyclohexylmethyl)-1-(2-heptoxyphenyl)ethanamine
CID 54804382
N-[(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]ethyl]-2-methylpropan-1-amine
CID 100556033
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860
N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
CID 54931731
(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81397121
N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine
CID 54932052
(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine?
The IUPAC name of 1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine (CID 54804387) is 1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine.
What is the SMILES notation for 1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine?
The canonical SMILES for 1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine is CCC(C)Oc1ccccc1C(C)NCC1CCCCC1.
What is the InChIKey of 1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine?
The InChIKey is FQOOEUFETQOTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-15(2)21-19-13-9-8-12-18(19)16(3)20-14-17-10-6-5-7-11-17/h8-9,12-13,15-17,20H,4-7,10-11,14H2,1-3H3.
What are the key properties of 1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine?
1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine has a molecular weight of 289.46 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine is sourced from PubChem (CID 54804387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).