N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline

C15H24N2O2 — CID 59230810

IUPACN-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline
SMILESCOc1ccc(NCC2CCC(N)CC2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-18-14-8-7-13(9-15(14)19-2)17-10-11-3-5-12(16)6-4-11/h7-9,11-12,17H,3-6,10,16H2,1-2H3
InChIKeyNXYUPMXXZLCOOI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.63
Rot. Bonds5

About N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline

N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline (PubChem CID 59230810) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline
PubChem CID59230810
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline
SMILESCOc1ccc(NCC2CCC(N)CC2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-18-14-8-7-13(9-15(14)19-2)17-10-11-3-5-12(16)6-4-11/h7-9,11-12,17H,3-6,10,16H2,1-2H3
InChIKeyNXYUPMXXZLCOOI-UHFFFAOYSA-N
XLogP2.63
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-(thiolan-3-ylmethyl)aniline
CID 107131165
3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline
CID 62384517
3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 79708094
3-chloro-N-(cyclopentylmethyl)-4-methoxyaniline
CID 61342616
N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline
CID 59230557
5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol
CID 59230219
N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline
CID 115213783
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
4-[(4-aminocyclohexyl)methylamino]benzenethiol
CID 59230358
1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 59230186
N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline
CID 22747580
N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline
CID 115213315

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline (CID 59230810) is N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline is COc1ccc(NCC2CCC(N)CC2)cc1OC.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline?
The InChIKey is NXYUPMXXZLCOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-18-14-8-7-13(9-15(14)19-2)17-10-11-3-5-12(16)6-4-11/h7-9,11-12,17H,3-6,10,16H2,1-2H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline?
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline has a molecular weight of 264.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline is sourced from PubChem (CID 59230810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).