N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine

C19H31NO — CID 63863376

IUPACN-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(OC2CCCCC2CC)c1
InChIInChI=1S/C19H31NO/c1-4-13-20-15(3)17-10-8-11-18(14-17)21-19-12-7-6-9-16(19)5-2/h8,10-11,14-16,19-20H,4-7,9,12-13H2,1-3H3
InChIKeySVCZDJHYEJABAT-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.09
Rot. Bonds7

About N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine

N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine (PubChem CID 63863376) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
PubChem CID63863376
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(OC2CCCCC2CC)c1
InChIInChI=1S/C19H31NO/c1-4-13-20-15(3)17-10-8-11-18(14-17)21-19-12-7-6-9-16(19)5-2/h8,10-11,14-16,19-20H,4-7,9,12-13H2,1-3H3
InChIKeySVCZDJHYEJABAT-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-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63863196
N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 63862466
2-[3-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol
CID 60881566
1-bromo-3-(2-ethylcyclohexyl)oxybenzene
CID 63863406
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
[3-(2-ethylcyclohexyl)oxyphenyl]-trifluoroboranuide
CID 63862168
N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 62290861
N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine
CID 63473660
N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine
CID 82933701
N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727
N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 63863940
N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine
CID 62389853

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine (CID 63863376) is N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(OC2CCCCC2CC)c1.
What is the InChIKey of N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine?
The InChIKey is SVCZDJHYEJABAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-13-20-15(3)17-10-8-11-18(14-17)21-19-12-7-6-9-16(19)5-2/h8,10-11,14-16,19-20H,4-7,9,12-13H2,1-3H3.
What are the key properties of N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine?
N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine 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 N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63863376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).