3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline

C18H30N2O — CID 43787408

IUPAC3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline
SMILESCCN(CC)Cc1cccc(NC2CCCCC2OC)c1
InChIInChI=1S/C18H30N2O/c1-4-20(5-2)14-15-9-8-10-16(13-15)19-17-11-6-7-12-18(17)21-3/h8-10,13,17-19H,4-7,11-12,14H2,1-3H3
InChIKeyQTCFGEVPEOCGSN-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.90
Rot. Bonds7

About 3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline

3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline (PubChem CID 43787408) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline
PubChem CID43787408
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline
SMILESCCN(CC)Cc1cccc(NC2CCCCC2OC)c1
InChIInChI=1S/C18H30N2O/c1-4-20(5-2)14-15-9-8-10-16(13-15)19-17-11-6-7-12-18(17)21-3/h8-10,13,17-19H,4-7,11-12,14H2,1-3H3
InChIKeyQTCFGEVPEOCGSN-UHFFFAOYSA-N
XLogP3.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine
CID 102671075
3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662084
ethyl 3-[(2-methoxycyclohexyl)amino]benzoate
CID 43774526
3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561413
N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline
CID 71192487
2-[3-[(2-methoxycyclohexyl)amino]phenoxy]acetamide
CID 43785927
3,4-difluoro-N-(2-methoxycyclohexyl)aniline
CID 43761652
N-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline
CID 60934839
3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline
CID 65044502
trans-(1S,2S)-2-[3-(methoxymethyl)anilino]cyclopentan-1-ol
CID 94220643
N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43711978
N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 61401371

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline?
The IUPAC name of 3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline (CID 43787408) is 3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline.
What is the SMILES notation for 3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline?
The canonical SMILES for 3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline is CCN(CC)Cc1cccc(NC2CCCCC2OC)c1.
What is the InChIKey of 3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline?
The InChIKey is QTCFGEVPEOCGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-20(5-2)14-15-9-8-10-16(13-15)19-17-11-6-7-12-18(17)21-3/h8-10,13,17-19H,4-7,11-12,14H2,1-3H3.
What are the key properties of 3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline?
3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline has a molecular weight of 290.45 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline is sourced from PubChem (CID 43787408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).