[2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride

C18H24ClN — CID 172652279

IUPAC[2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride
SMILESCc1ccc(-c2ccc(CC(C)C)cc2)cc1CN.Cl
InChIInChI=1S/C18H23N.ClH/c1-13(2)10-15-5-8-16(9-6-15)17-7-4-14(3)18(11-17)12-19;/h4-9,11,13H,10,12,19H2,1-3H3;1H
InChIKeyJBURZSRXDATNRN-UHFFFAOYSA-N
MW289.85 g/mol
LogP4.74
Rot. Bonds4

About [2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride

[2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride (PubChem CID 172652279) has the molecular formula C18H24ClN and a molecular weight of 289.85 g/mol. Its IUPAC name is [2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride
PubChem CID172652279
Molecular FormulaC18H24ClN
Molecular Weight289.85 g/mol
Exact Mass289.16
IUPAC Name[2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride
SMILESCc1ccc(-c2ccc(CC(C)C)cc2)cc1CN.Cl
InChIInChI=1S/C18H23N.ClH/c1-13(2)10-15-5-8-16(9-6-15)17-7-4-14(3)18(11-17)12-19;/h4-9,11,13H,10,12,19H2,1-3H3;1H
InChIKeyJBURZSRXDATNRN-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride
CID 172652284
[2-methyl-5-(4-methylphenyl)phenyl]methanamine
CID 115027522
[2-methyl-4-[4-(2-methylpropyl)phenyl]phenyl]methanol
CID 172652299
[4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride
CID 172652324
[5-(3-chlorophenyl)-2-methylphenyl]methanamine
CID 115038622
[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804270
[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
CID 63887126
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
2-methyl-5-[3-(2-methylpropyl)phenyl]aniline
CID 116545232
(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
CID 172652225
4-methyl-3-[4-(2-methylpropyl)phenyl]benzaldehyde
CID 105409668

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride?
The IUPAC name of [2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride (CID 172652279) is [2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride is Cc1ccc(-c2ccc(CC(C)C)cc2)cc1CN.Cl.
What is the InChIKey of [2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride?
The InChIKey is JBURZSRXDATNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N.ClH/c1-13(2)10-15-5-8-16(9-6-15)17-7-4-14(3)18(11-17)12-19;/h4-9,11,13H,10,12,19H2,1-3H3;1H.
What are the key properties of [2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride?
[2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 172652279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).