N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine

C19H25NO — CID 63496452

IUPACN-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H25NO/c1-4-10-20-13-17-6-5-7-18(12-17)14-21-19-9-8-15(2)16(3)11-19/h5-9,11-12,20H,4,10,13-14H2,1-3H3
InChIKeyJRXHNVHMTKUZGJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.38
Rot. Bonds7

About N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine

N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine (PubChem CID 63496452) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine
PubChem CID63496452
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H25NO/c1-4-10-20-13-17-6-5-7-18(12-17)14-21-19-9-8-15(2)16(3)11-19/h5-9,11-12,20H,4,10,13-14H2,1-3H3
InChIKeyJRXHNVHMTKUZGJ-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.38
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-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 83138173
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 39368953
[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine
CID 16784243
N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 105402373
N-[[3-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 81313712
N-[[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 63500797
N-[[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 103037800
N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064
N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61034428
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
N-[[3-[(3-methoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 62453859
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 65125794

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine (CID 63496452) is N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine is CCCNCc1cccc(COc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is JRXHNVHMTKUZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-10-20-13-17-6-5-7-18(12-17)14-21-19-9-8-15(2)16(3)11-19/h5-9,11-12,20H,4,10,13-14H2,1-3H3.
What are the key properties of N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine?
N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63496452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).