N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline

C16H26N2O — CID 115213315

IUPACN-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline
SMILESCOc1cc(C)c(NCC2CCC(N)CC2)cc1C
InChIInChI=1S/C16H26N2O/c1-11-9-16(19-3)12(2)8-15(11)18-10-13-4-6-14(17)7-5-13/h8-9,13-14,18H,4-7,10,17H2,1-3H3
InChIKeyBKVOXPMGLXOXKP-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.24
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline

N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline (PubChem CID 115213315) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline
PubChem CID115213315
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline
SMILESCOc1cc(C)c(NCC2CCC(N)CC2)cc1C
InChIInChI=1S/C16H26N2O/c1-11-9-16(19-3)12(2)8-15(11)18-10-13-4-6-14(17)7-5-13/h8-9,13-14,18H,4-7,10,17H2,1-3H3
InChIKeyBKVOXPMGLXOXKP-UHFFFAOYSA-N
XLogP3.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline
CID 115213789
4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine
CID 116926249
N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline
CID 115207226
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline
CID 59230810
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
CID 115196260
3-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2,3-triamine
CID 115119373
2-(4-methoxy-2,5-dimethylanilino)acetic acid
CID 82492559
4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633371
N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline
CID 115211768
N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 59231229
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline
CID 62066354
2-N-(cyclobutylmethyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001680

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline (CID 115213315) is N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline is COc1cc(C)c(NCC2CCC(N)CC2)cc1C.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline?
The InChIKey is BKVOXPMGLXOXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-9-16(19-3)12(2)8-15(11)18-10-13-4-6-14(17)7-5-13/h8-9,13-14,18H,4-7,10,17H2,1-3H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline?
N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline has a molecular weight of 262.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline is sourced from PubChem (CID 115213315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).