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

C17H21Cl2N — CID 172652284

IUPAC[2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride
SMILESCC(C)Cc1ccc(-c2ccc(Cl)c(CN)c2)cc1.Cl
InChIInChI=1S/C17H20ClN.ClH/c1-12(2)9-13-3-5-14(6-4-13)15-7-8-17(18)16(10-15)11-19;/h3-8,10,12H,9,11,19H2,1-2H3;1H
InChIKeyCDEJCNANDDPWFK-UHFFFAOYSA-N
MW310.27 g/mol
LogP5.09
Rot. Bonds4

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

[2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride (PubChem CID 172652284) has the molecular formula C17H21Cl2N and a molecular weight of 310.27 g/mol. Its IUPAC name is [2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride
PubChem CID172652284
Molecular FormulaC17H21Cl2N
Molecular Weight310.27 g/mol
Exact Mass309.11
IUPAC Name[2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride
SMILESCC(C)Cc1ccc(-c2ccc(Cl)c(CN)c2)cc1.Cl
InChIInChI=1S/C17H20ClN.ClH/c1-12(2)9-13-3-5-14(6-4-13)15-7-8-17(18)16(10-15)11-19;/h3-8,10,12H,9,11,19H2,1-2H3;1H
InChIKeyCDEJCNANDDPWFK-UHFFFAOYSA-N
XLogP5.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.27
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride
CID 172652279
(2-chloro-5-pyridin-4-ylphenyl)methanamine
CID 67257195
[4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride
CID 172652324
[4-(3,4-dichlorophenyl)phenyl]methanamine
CID 3610827
[4-chloro-3-[4-methoxy-6-[4-(2-methylpropyl)phenyl]-1,3,5-triazin-2-yl]phenyl]methanamine;hydrochloride
CID 118380365
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
CID 63887126
[2-methyl-4-[4-(2-methylpropyl)phenyl]phenyl]methanol
CID 172652299
[2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine
CID 115041880
2-bromo-4-[bromo-[4-(2-methylpropyl)phenyl]methyl]-1-chlorobenzene
CID 107991588
[2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine
CID 61033431
2-[3-(aminomethyl)-4-chlorophenyl]phenol
CID 115039900

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride?
The IUPAC name of [2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride (CID 172652284) is [2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride is CC(C)Cc1ccc(-c2ccc(Cl)c(CN)c2)cc1.Cl.
What is the InChIKey of [2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride?
The InChIKey is CDEJCNANDDPWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN.ClH/c1-12(2)9-13-3-5-14(6-4-13)15-7-8-17(18)16(10-15)11-19;/h3-8,10,12H,9,11,19H2,1-2H3;1H.
What are the key properties of [2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride?
[2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride has a molecular weight of 310.27 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 172652284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).