1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine

C15H24N2O — CID 79458112

IUPAC1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
SMILESCOCc1cccc(CNC2CCCC(N)C2)c1
InChIInChI=1S/C15H24N2O/c1-18-11-13-5-2-4-12(8-13)10-17-15-7-3-6-14(16)9-15/h2,4-5,8,14-15,17H,3,6-7,9-11,16H2,1H3
InChIKeyMFWANOTZGAZYPG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.19
Rot. Bonds5

About 1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine

1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine (PubChem CID 79458112) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
PubChem CID79458112
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
SMILESCOCc1cccc(CNC2CCCC(N)C2)c1
InChIInChI=1S/C15H24N2O/c1-18-11-13-5-2-4-12(8-13)10-17-15-7-3-6-14(16)9-15/h2,4-5,8,14-15,17H,3,6-7,9-11,16H2,1H3
InChIKeyMFWANOTZGAZYPG-UHFFFAOYSA-N
XLogP2.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428323
N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725
3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 104587859
N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine
CID 54896550
1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine
CID 106899393
4-[[(3-aminocyclohexyl)amino]methyl]phenol
CID 114331392
N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754469
N-[[3-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998862
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799

Frequently Asked Questions

What is the IUPAC name of 1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine (CID 79458112) is 1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine is COCc1cccc(CNC2CCCC(N)C2)c1.
What is the InChIKey of 1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine?
The InChIKey is MFWANOTZGAZYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-18-11-13-5-2-4-12(8-13)10-17-15-7-3-6-14(16)9-15/h2,4-5,8,14-15,17H,3,6-7,9-11,16H2,1H3.
What are the key properties of 1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine?
1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79458112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).