1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine

C18H22ClN — CID 172652258

IUPAC1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(-c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C18H22ClN/c1-13(2)8-14-4-6-16(7-5-14)17-9-15(12-20-3)10-18(19)11-17/h4-7,9-11,13,20H,8,12H2,1-3H3
InChIKeyYLEPIWGJRFMCSQ-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.92
Rot. Bonds5

About 1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine

1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine (PubChem CID 172652258) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine
PubChem CID172652258
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(-c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C18H22ClN/c1-13(2)8-14-4-6-16(7-5-14)17-9-15(12-20-3)10-18(19)11-17/h4-7,9-11,13,20H,8,12H2,1-3H3
InChIKeyYLEPIWGJRFMCSQ-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine
CID 172652256
1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
CID 11424756
1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine
CID 84774711
N-methyl-4-[4-(2-methylpropyl)phenyl]aniline
CID 116962445
1-(3-chloro-5-ethylphenyl)-N-methylmethanamine
CID 84659368
N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
CID 3528202
1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
CID 60789791
N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine
CID 172652228
1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine
CID 69431939
1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene
CID 22087476
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine
CID 116897459

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine (CID 172652258) is 1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine is CNCc1cc(Cl)cc(-c2ccc(CC(C)C)cc2)c1.
What is the InChIKey of 1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine?
The InChIKey is YLEPIWGJRFMCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-13(2)8-14-4-6-16(7-5-14)17-9-15(12-20-3)10-18(19)11-17/h4-7,9-11,13,20H,8,12H2,1-3H3.
What are the key properties of 1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine?
1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 172652258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).