N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline

C24H34N2O — CID 142915017

IUPACN-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
SMILESCCN(Cc1ccc(CCNC2CCCCC2)cc1)c1cccc(OC)c1
InChIInChI=1S/C24H34N2O/c1-3-26(23-10-7-11-24(18-23)27-2)19-21-14-12-20(13-15-21)16-17-25-22-8-5-4-6-9-22/h7,10-15,18,22,25H,3-6,8-9,16-17,19H2,1-2H3
InChIKeyXINNDDJTLUWAOS-UHFFFAOYSA-N
MW366.55 g/mol
LogP5.19
Rot. Bonds9

About N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline

N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline (PubChem CID 142915017) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline.

Molecular Properties

Compound NameN-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
PubChem CID142915017
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
SMILESCCN(Cc1ccc(CCNC2CCCCC2)cc1)c1cccc(OC)c1
InChIInChI=1S/C24H34N2O/c1-3-26(23-10-7-11-24(18-23)27-2)19-21-14-12-20(13-15-21)16-17-25-22-8-5-4-6-9-22/h7,10-15,18,22,25H,3-6,8-9,16-17,19H2,1-2H3
InChIKeyXINNDDJTLUWAOS-UHFFFAOYSA-N
XLogP5.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-yloxyphosphane
CID 154681628
2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde
CID 155065101
1-ethyl-N-[2-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 107850209
N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 142915296
3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline
CID 62583584
N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915240
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine
CID 62565943
3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 103698599
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline?
The IUPAC name of N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline (CID 142915017) is N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline.
What is the SMILES notation for N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline?
The canonical SMILES for N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline is CCN(Cc1ccc(CCNC2CCCCC2)cc1)c1cccc(OC)c1.
What is the InChIKey of N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline?
The InChIKey is XINNDDJTLUWAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-3-26(23-10-7-11-24(18-23)27-2)19-21-14-12-20(13-15-21)16-17-25-22-8-5-4-6-9-22/h7,10-15,18,22,25H,3-6,8-9,16-17,19H2,1-2H3.
What are the key properties of N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline?
N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline has a molecular weight of 366.55 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline is sourced from PubChem (CID 142915017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).