N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine

C18H22ClN — CID 82883365

IUPACN-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C18H22ClN/c1-4-11-20-18(15-8-5-13(2)6-9-15)17-12-16(19)10-7-14(17)3/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyFJZMAOHCQKVDQR-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.05
Rot. Bonds5

About N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine

N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine (PubChem CID 82883365) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
PubChem CID82883365
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C18H22ClN/c1-4-11-20-18(15-8-5-13(2)6-9-15)17-12-16(19)10-7-14(17)3/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyFJZMAOHCQKVDQR-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 82884123
N-[(5-chloro-2-methylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 82871484
N-[(2,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496101
N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63414114
N-[(5-chloro-2-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854575
N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153
N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82870566
N-[(2,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413548
N-[(3-chloro-4-iodophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 103214844
N-[(4-chloro-2-fluorophenyl)-(5-chloro-2-methylphenyl)methyl]propan-1-amine
CID 105022481
N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 63418754
N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 63502964

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine (CID 82883365) is N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1)c1cc(Cl)ccc1C.
What is the InChIKey of N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine?
The InChIKey is FJZMAOHCQKVDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-4-11-20-18(15-8-5-13(2)6-9-15)17-12-16(19)10-7-14(17)3/h5-10,12,18,20H,4,11H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine?
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine has a molecular weight of 287.83 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 82883365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).