4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine

C16H26N2 — CID 115213416

IUPAC4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine
SMILESCc1ccc(C)c(CNCC2CCC(N)CC2)c1
InChIInChI=1S/C16H26N2/c1-12-3-4-13(2)15(9-12)11-18-10-14-5-7-16(17)8-6-14/h3-4,9,14,16,18H,5-8,10-11,17H2,1-2H3
InChIKeyKYZPXOSWXHQROD-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.91
Rot. Bonds4

About 4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine

4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine (PubChem CID 115213416) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine
PubChem CID115213416
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine
SMILESCc1ccc(C)c(CNCC2CCC(N)CC2)c1
InChIInChI=1S/C16H26N2/c1-12-3-4-13(2)15(9-12)11-18-10-14-5-7-16(17)8-6-14/h3-4,9,14,16,18H,5-8,10-11,17H2,1-2H3
InChIKeyKYZPXOSWXHQROD-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol
CID 59549336
N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538182
2-[[[4-(aminomethyl)cyclohexyl]methylamino]methyl]-5-methylphenol
CID 71213393
4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126443
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 63689969
4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213421
N-[(2,5-dimethylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63899121
4-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106468033
1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine
CID 115260731
2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate
CID 83210925
N-[(2,5-dimethylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 60657747
4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213425

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine (CID 115213416) is 4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine is Cc1ccc(C)c(CNCC2CCC(N)CC2)c1.
What is the InChIKey of 4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine?
The InChIKey is KYZPXOSWXHQROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-3-4-13(2)15(9-12)11-18-10-14-5-7-16(17)8-6-14/h3-4,9,14,16,18H,5-8,10-11,17H2,1-2H3.
What are the key properties of 4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine?
4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 115213416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).