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

C19H25NO — CID 17054354

IUPACN-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
SMILESCCCCNCc1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H25NO/c1-3-4-13-20-14-17-9-11-19(12-10-17)21-15-18-7-5-16(2)6-8-18/h5-12,20H,3-4,13-15H2,1-2H3
InChIKeyXNJTWAABJNPHIP-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.46
Rot. Bonds8

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

N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine (PubChem CID 17054354) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
PubChem CID17054354
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
SMILESCCCCNCc1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H25NO/c1-3-4-13-20-14-17-9-11-19(12-10-17)21-15-18-7-5-16(2)6-8-18/h5-12,20H,3-4,13-15H2,1-2H3
InChIKeyXNJTWAABJNPHIP-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'}

Analyze N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]heptan-1-amine;hydrochloride
CID 17054378
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
N-[(4-phenylmethoxyphenyl)methyl]octan-1-amine;hydrochloride
CID 17331183
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
CID 17054951
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
N',N'-dibutyl-N-[(4-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214463
N-[(4-methylphenyl)methyl]octan-1-amine;hydrochloride
CID 17331169
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride
CID 17054404
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride
CID 17054240
N',N'-dibutyl-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214465

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine?
The IUPAC name of N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine (CID 17054354) is N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine.
What is the SMILES notation for N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine?
The canonical SMILES for N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine is CCCCNCc1ccc(OCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine?
The InChIKey is XNJTWAABJNPHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-4-13-20-14-17-9-11-19(12-10-17)21-15-18-7-5-16(2)6-8-18/h5-12,20H,3-4,13-15H2,1-2H3.
What are the key properties of N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine?
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine 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 N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine is sourced from PubChem (CID 17054354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).