N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine

C14H23NO — CID 97179136

IUPACN-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine
SMILESCCCCNCc1ccc(C)c(C)c1OC
InChIInChI=1S/C14H23NO/c1-5-6-9-15-10-13-8-7-11(2)12(3)14(13)16-4/h7-8,15H,5-6,9-10H2,1-4H3
InChIKeyZKIXGJMJWISTPE-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.20
Rot. Bonds6

About N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine

N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine (PubChem CID 97179136) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine
PubChem CID97179136
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine
SMILESCCCCNCc1ccc(C)c(C)c1OC
InChIInChI=1S/C14H23NO/c1-5-6-9-15-10-13-8-7-11(2)12(3)14(13)16-4/h7-8,15H,5-6,9-10H2,1-4H3
InChIKeyZKIXGJMJWISTPE-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxy-3,4-dimethylphenyl)methyl]prop-2-en-1-amine
CID 97179144
N-[2-(2,3,6-trimethylphenoxy)ethyl]butan-1-amine
CID 2262500
5-[(2,4-dimethoxy-3-methylphenyl)methylamino]pentan-2-one
CID 115236495
N-butyl-4-(2,3,6-trimethylphenoxy)butan-1-amine;hydrochloride
CID 2866081
N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine
CID 97179137
2-(butylaminomethyl)-5-methoxyaniline
CID 115413844
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 39355523
N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 4719013
N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 97179205
N-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine
CID 67714257
N',N'-dibutyl-N-[(2,3-dimethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214645

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine?
The IUPAC name of N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine (CID 97179136) is N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine?
The canonical SMILES for N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine is CCCCNCc1ccc(C)c(C)c1OC.
What is the InChIKey of N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine?
The InChIKey is ZKIXGJMJWISTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-6-9-15-10-13-8-7-11(2)12(3)14(13)16-4/h7-8,15H,5-6,9-10H2,1-4H3.
What are the key properties of N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine?
N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 97179136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).