N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline

C14H22N2O — CID 106872574

IUPACN-[1-(aminomethyl)-2-methoxycyclohexyl]aniline
SMILESCOC1CCCCC1(CN)Nc1ccccc1
InChIInChI=1S/C14H22N2O/c1-17-13-9-5-6-10-14(13,11-15)16-12-7-3-2-4-8-12/h2-4,7-8,13,16H,5-6,9-11,15H2,1H3
InChIKeyMHAVTODVFMUPLT-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.38
Rot. Bonds4

About N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline

N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline (PubChem CID 106872574) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methoxycyclohexyl]aniline
PubChem CID106872574
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[1-(aminomethyl)-2-methoxycyclohexyl]aniline
SMILESCOC1CCCCC1(CN)Nc1ccccc1
InChIInChI=1S/C14H22N2O/c1-17-13-9-5-6-10-14(13,11-15)16-12-7-3-2-4-8-12/h2-4,7-8,13,16H,5-6,9-11,15H2,1H3
InChIKeyMHAVTODVFMUPLT-UHFFFAOYSA-N
XLogP2.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine
CID 106872628
(1-anilino-2-tert-butylcyclohexyl)methanol
CID 61046415
(1-anilino-2-phenylcyclohexyl)methanol
CID 105403088
1-(aminomethyl)-2-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine
CID 106872782
N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline
CID 65378408
(1-methoxy-2-phenylcyclohexyl)methanamine
CID 105403899
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide
CID 115308431
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
1-(aminomethyl)-N-benzyl-2-methylcyclopentan-1-amine
CID 65384422
4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide
CID 115308945
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline
CID 65376853
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 115308488

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline?
The IUPAC name of N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline (CID 106872574) is N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline.
What is the SMILES notation for N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline?
The canonical SMILES for N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline is COC1CCCCC1(CN)Nc1ccccc1.
What is the InChIKey of N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline?
The InChIKey is MHAVTODVFMUPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-13-9-5-6-10-14(13,11-15)16-12-7-3-2-4-8-12/h2-4,7-8,13,16H,5-6,9-11,15H2,1H3.
What are the key properties of N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline?
N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline has a molecular weight of 234.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline is sourced from PubChem (CID 106872574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).