N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine

C18H22ClN — CID 43496153

IUPACN-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1cc(C)ccc1C
InChIInChI=1S/C18H22ClN/c1-4-10-20-18(15-6-5-7-16(19)12-15)17-11-13(2)8-9-14(17)3/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyTUFVKXVOXRQXGP-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.05
Rot. Bonds5

About N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine

N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine (PubChem CID 43496153) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
PubChem CID43496153
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1cc(C)ccc1C
InChIInChI=1S/C18H22ClN/c1-4-10-20-18(15-6-5-7-16(19)12-15)17-11-13(2)8-9-14(17)3/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyTUFVKXVOXRQXGP-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-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989692
N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496369
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82883365
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
N-[(2,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496101
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-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63840842
N-[(3-chlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]propan-1-amine
CID 105106643
N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79705264
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine (CID 43496153) is N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(Cl)c1)c1cc(C)ccc1C.
What is the InChIKey of N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is TUFVKXVOXRQXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-4-10-20-18(15-6-5-7-16(19)12-15)17-11-13(2)8-9-14(17)3/h5-9,11-12,18,20H,4,10H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
N-[(3-chlorophenyl)-(2,5-dimethylphenyl)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-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43496153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).