2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride

C19H26ClNO — CID 17210800

IUPAC2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
SMILESCCC(C)(C)NCc1cccc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C19H25NO.ClH/c1-4-19(2,3)20-14-17-11-8-12-18(13-17)21-15-16-9-6-5-7-10-16;/h5-13,20H,4,14-15H2,1-3H3;1H
InChIKeyVMUZGZUPWNSJLG-UHFFFAOYSA-N
MW319.88 g/mol
LogP4.97
Rot. Bonds7

About 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride

2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride (PubChem CID 17210800) has the molecular formula C19H26ClNO and a molecular weight of 319.88 g/mol. Its IUPAC name is 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
PubChem CID17210800
Molecular FormulaC19H26ClNO
Molecular Weight319.88 g/mol
Exact Mass319.17
IUPAC Name2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
SMILESCCC(C)(C)NCc1cccc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C19H25NO.ClH/c1-4-19(2,3)20-14-17-11-8-12-18(13-17)21-15-16-9-6-5-7-10-16;/h5-13,20H,4,14-15H2,1-3H3;1H
InChIKeyVMUZGZUPWNSJLG-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 17210985
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride
CID 17211012
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
CID 4715475
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721454
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609
N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064
1-phenylmethoxy-3-propylbenzene
CID 58977798
3-[[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]methyl]benzonitrile
CID 111112632
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17295026

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride?
The IUPAC name of 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride (CID 17210800) is 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride is CCC(C)(C)NCc1cccc(OCc2ccccc2)c1.Cl.
What is the InChIKey of 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride?
The InChIKey is VMUZGZUPWNSJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO.ClH/c1-4-19(2,3)20-14-17-11-8-12-18(13-17)21-15-16-9-6-5-7-10-16;/h5-13,20H,4,14-15H2,1-3H3;1H.
What are the key properties of 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride?
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 17210800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).