N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine

C18H23NO — CID 61034428

IUPACN-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2ccc(OC)cc2C)c1
InChIInChI=1S/C18H23NO/c1-4-10-19-13-15-6-5-7-16(12-15)18-9-8-17(20-3)11-14(18)2/h5-9,11-12,19H,4,10,13H2,1-3H3
InChIKeyDOETXXCNFWIYRI-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.17
Rot. Bonds6

About N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine

N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 61034428) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
PubChem CID61034428
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2ccc(OC)cc2C)c1
InChIInChI=1S/C18H23NO/c1-4-10-19-13-15-6-5-7-16(12-15)18-9-8-17(20-3)11-14(18)2/h5-9,11-12,19H,4,10,13H2,1-3H3
InChIKeyDOETXXCNFWIYRI-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-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine
CID 61034037
N-[[2-fluoro-5-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033006
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743
N-[[4-(2-fluoro-4-methoxyphenyl)-3-methylphenyl]methyl]propan-1-amine
CID 66479253
N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424448
N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61032764
N-[[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]methyl]propan-1-amine
CID 66480035
N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424520
N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496452
N-[[3-[(3-methoxyphenyl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66349415
2-[4-[[3-(4-methoxy-2-methylphenyl)phenyl]methylamino]phenyl]sulfonylacetic acid
CID 118910680
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 107514099

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine (CID 61034428) is N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine is CCCNCc1cccc(-c2ccc(OC)cc2C)c1.
What is the InChIKey of N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is DOETXXCNFWIYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-10-19-13-15-6-5-7-16(12-15)18-9-8-17(20-3)11-14(18)2/h5-9,11-12,19H,4,10,13H2,1-3H3.
What are the key properties of N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine?
N-[[3-(4-methoxy-2-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-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61034428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).