N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride

C19H26ClNO2 — CID 17156110

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
SMILESCCCC(NCc1ccc(OC)cc1OC)c1ccccc1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-4-8-18(15-9-6-5-7-10-15)20-14-16-11-12-17(21-2)13-19(16)22-3;/h5-7,9-13,18,20H,4,8,14H2,1-3H3;1H
InChIKeyFPUXGPLWYSLNDT-UHFFFAOYSA-N
MW335.88 g/mol
LogP4.76
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride

N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride (PubChem CID 17156110) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
PubChem CID17156110
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
SMILESCCCC(NCc1ccc(OC)cc1OC)c1ccccc1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-4-8-18(15-9-6-5-7-10-15)20-14-16-11-12-17(21-2)13-19(16)22-3;/h5-7,9-13,18,20H,4,8,14H2,1-3H3;1H
InChIKeyFPUXGPLWYSLNDT-UHFFFAOYSA-N
XLogP4.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449960
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 17156114
N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62050261
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156042
2,5-dimethoxy-N-(1-phenylbutyl)aniline
CID 43099657
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
CID 17052931
N-[(5-bromo-2-ethoxy-3-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156741
(2S)-2-[(2,4-dimethoxyphenyl)methylamino]hexanoic acid
CID 120511723
N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222007
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17155780
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182657

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride (CID 17156110) is N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride is CCCC(NCc1ccc(OC)cc1OC)c1ccccc1.Cl.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride?
The InChIKey is FPUXGPLWYSLNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2.ClH/c1-4-8-18(15-9-6-5-7-10-15)20-14-16-11-12-17(21-2)13-19(16)22-3;/h5-7,9-13,18,20H,4,8,14H2,1-3H3;1H.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride?
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride is sourced from PubChem (CID 17156110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).