4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine

C19H31NO — CID 43612843

IUPAC4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
SMILESCCC1CCC(NC(C)c2ccccc2OC(C)C)CC1
InChIInChI=1S/C19H31NO/c1-5-16-10-12-17(13-11-16)20-15(4)18-8-6-7-9-19(18)21-14(2)3/h6-9,14-17,20H,5,10-13H2,1-4H3
InChIKeyYETAVAJFGQMFNQ-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.09
Rot. Bonds6

About 4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine

4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine (PubChem CID 43612843) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
PubChem CID43612843
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
SMILESCCC1CCC(NC(C)c2ccccc2OC(C)C)CC1
InChIInChI=1S/C19H31NO/c1-5-16-10-12-17(13-11-16)20-15(4)18-8-6-7-9-19(18)21-14(2)3/h6-9,14-17,20H,5,10-13H2,1-4H3
InChIKeyYETAVAJFGQMFNQ-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine
CID 103439093
3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 81397757
N-(cyclopropylmethyl)-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735006
4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
CID 81380737
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81383002
3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine
CID 79461771
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine
CID 43373385
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 29040454
2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol
CID 61466696
N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 43079434
4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43225789

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine (CID 43612843) is 4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine is CCC1CCC(NC(C)c2ccccc2OC(C)C)CC1.
What is the InChIKey of 4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is YETAVAJFGQMFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-16-10-12-17(13-11-16)20-15(4)18-8-6-7-9-19(18)21-14(2)3/h6-9,14-17,20H,5,10-13H2,1-4H3.
What are the key properties of 4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine?
4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43612843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).