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

C19H26ClNO — CID 17054224

IUPAC2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
SMILESCc1ccc(COc2ccccc2CNC(C)(C)C)cc1.Cl
InChIInChI=1S/C19H25NO.ClH/c1-15-9-11-16(12-10-15)14-21-18-8-6-5-7-17(18)13-20-19(2,3)4;/h5-12,20H,13-14H2,1-4H3;1H
InChIKeyCVJVRRHMRJOMAH-UHFFFAOYSA-N
MW319.88 g/mol
LogP4.88
Rot. Bonds5

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

2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride (PubChem CID 17054224) has the molecular formula C19H26ClNO and a molecular weight of 319.88 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
PubChem CID17054224
Molecular FormulaC19H26ClNO
Molecular Weight319.88 g/mol
Exact Mass319.17
IUPAC Name2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
SMILESCc1ccc(COc2ccccc2CNC(C)(C)C)cc1.Cl
InChIInChI=1S/C19H25NO.ClH/c1-15-9-11-16(12-10-15)14-21-18-8-6-5-7-17(18)13-20-19(2,3)4;/h5-12,20H,13-14H2,1-4H3;1H
InChIKeyCVJVRRHMRJOMAH-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 17054239
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332421
2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128637
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride
CID 17054240
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331337
[2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 887273
(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29186334
2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 834073
1-(4-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 17054326
1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43277189
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 17054248
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride?
The IUPAC name of 2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride (CID 17054224) is 2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride is Cc1ccc(COc2ccccc2CNC(C)(C)C)cc1.Cl.
What is the InChIKey of 2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride?
The InChIKey is CVJVRRHMRJOMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO.ClH/c1-15-9-11-16(12-10-15)14-21-18-8-6-5-7-17(18)13-20-19(2,3)4;/h5-12,20H,13-14H2,1-4H3;1H.
What are the key properties of 2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride?
2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 17054224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).