1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine

C19H25NO — CID 54804115

IUPAC1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCCCCOc1cccc(CNCc2cccc(C)c2)c1
InChIInChI=1S/C19H25NO/c1-3-4-11-21-19-10-6-9-18(13-19)15-20-14-17-8-5-7-16(2)12-17/h5-10,12-13,20H,3-4,11,14-15H2,1-2H3
InChIKeyFYLKATFJFBEUFC-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.46
Rot. Bonds8

About 1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine

1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine (PubChem CID 54804115) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
PubChem CID54804115
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCCCCOc1cccc(CNCc2cccc(C)c2)c1
InChIInChI=1S/C19H25NO/c1-3-4-11-21-19-10-6-9-18(13-19)15-20-14-17-8-5-7-16(2)12-17/h5-10,12-13,20H,3-4,11,14-15H2,1-2H3
InChIKeyFYLKATFJFBEUFC-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.46
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-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
1-[(3-butoxyphenyl)methylamino]propan-2-ol
CID 54849199
1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine
CID 54803922
N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline
CID 39384036
N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848590
N-[(3-butoxyphenyl)methyl]-2-methylaniline
CID 39369088
2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine
CID 39360189
4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 59230604
1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine
CID 54804099
1-methyl-3-pentadecoxybenzene
CID 154641822

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine (CID 54804115) is 1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine is CCCCOc1cccc(CNCc2cccc(C)c2)c1.
What is the InChIKey of 1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine?
The InChIKey is FYLKATFJFBEUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-4-11-21-19-10-6-9-18(13-19)15-20-14-17-8-5-7-16(2)12-17/h5-10,12-13,20H,3-4,11,14-15H2,1-2H3.
What are the key properties of 1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine?
1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine has a molecular weight of 283.42 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 54804115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).