N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine

C17H21NO — CID 54911552

IUPACN-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C17H21NO/c1-3-12-18-13-14-8-10-15(11-9-14)16-6-4-5-7-17(16)19-2/h4-11,18H,3,12-13H2,1-2H3
InChIKeyDLXMDPALDMOPSG-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.86
Rot. Bonds6

About N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine

N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine (PubChem CID 54911552) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
PubChem CID54911552
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C17H21NO/c1-3-12-18-13-14-8-10-15(11-9-14)16-6-4-5-7-17(16)19-2/h4-11,18H,3,12-13H2,1-2H3
InChIKeyDLXMDPALDMOPSG-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.86
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-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 82811010
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743
4-[[4-(2-methoxyphenyl)phenyl]methylamino]butanoic acid
CID 122035871
N-[[4-(2-methoxyphenyl)phenyl]methyl]propanamide
CID 66848573
4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol
CID 119138820
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033548
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
(2R)-2-[[4-(2-methoxyphenyl)phenyl]methylamino]propan-1-ol
CID 111466419
N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63423947
N'-[(2-methoxyphenyl)methyl]-N-[[4-[4-[4-[[6-[(2-methoxyphenyl)methylamino]hexylamino]methyl]phenyl]phenyl]phenyl]methyl]hexane-1,6-diamine
CID 10930604
N-[[3-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 54911742
N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
CID 105409446

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine (CID 54911552) is N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(-c2ccccc2OC)cc1.
What is the InChIKey of N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is DLXMDPALDMOPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-12-18-13-14-8-10-15(11-9-14)16-6-4-5-7-17(16)19-2/h4-11,18H,3,12-13H2,1-2H3.
What are the key properties of N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine?
N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 54911552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).