N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine

C18H23NO — CID 61033548

IUPACN-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C18H23NO/c1-4-11-19-13-15-5-7-16(8-6-15)17-9-10-18(20-3)14(2)12-17/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyABGFWJDLTHAXGP-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.17
Rot. Bonds6

About N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine

N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 61033548) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
PubChem CID61033548
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C18H23NO/c1-4-11-19-13-15-5-7-16(8-6-15)17-9-10-18(20-3)14(2)12-17/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyABGFWJDLTHAXGP-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.17
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-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 83044761
N-[[2-fluoro-5-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 63428466
N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63424666
N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105409944
N-[[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]methyl]propan-1-amine
CID 66480035
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 66158083
N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911552
N-[(4-methoxy-3-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 82942119
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 115581213
N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 60883199

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine (CID 61033548) is N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(-c2ccc(OC)c(C)c2)cc1.
What is the InChIKey of N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is ABGFWJDLTHAXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-11-19-13-15-5-7-16(8-6-15)17-9-10-18(20-3)14(2)12-17/h5-10,12,19H,4,11,13H2,1-3H3.
What are the key properties of N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine?
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61033548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).