N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride

C19H26ClNO — CID 17054240

IUPACN-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride
SMILESCCCCNCc1ccccc1OCc1ccc(C)cc1.Cl
InChIInChI=1S/C19H25NO.ClH/c1-3-4-13-20-14-18-7-5-6-8-19(18)21-15-17-11-9-16(2)10-12-17;/h5-12,20H,3-4,13-15H2,1-2H3;1H
InChIKeyNEVJFXSJOJGCGV-UHFFFAOYSA-N
MW319.88 g/mol
LogP4.89
Rot. Bonds8

About N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride

N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride (PubChem CID 17054240) has the molecular formula C19H26ClNO and a molecular weight of 319.88 g/mol. Its IUPAC name is N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride
PubChem CID17054240
Molecular FormulaC19H26ClNO
Molecular Weight319.88 g/mol
Exact Mass319.17
IUPAC NameN-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride
SMILESCCCCNCc1ccccc1OCc1ccc(C)cc1.Cl
InChIInChI=1S/C19H25NO.ClH/c1-3-4-13-20-14-18-7-5-6-8-19(18)21-15-17-11-9-16(2)10-12-17;/h5-12,20H,3-4,13-15H2,1-2H3;1H
InChIKeyNEVJFXSJOJGCGV-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 54.89
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-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722043
N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine
CID 4722697
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332421
2-(4-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17054290
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722045
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17054224
(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29186334
N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]octan-1-amine
CID 17055269
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6471431
1-(4-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 17054326

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride?
The IUPAC name of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride (CID 17054240) is N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride.
What is the SMILES notation for N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride?
The canonical SMILES for N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride is CCCCNCc1ccccc1OCc1ccc(C)cc1.Cl.
What is the InChIKey of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride?
The InChIKey is NEVJFXSJOJGCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO.ClH/c1-3-4-13-20-14-18-7-5-6-8-19(18)21-15-17-11-9-16(2)10-12-17;/h5-12,20H,3-4,13-15H2,1-2H3;1H.
What are the key properties of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride?
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride is sourced from PubChem (CID 17054240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).