N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine

C19H24ClN — CID 82870566

IUPACN-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)C)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C19H24ClN/c1-5-21-19(18-12-17(20)11-6-14(18)4)16-9-7-15(8-10-16)13(2)3/h6-13,19,21H,5H2,1-4H3
InChIKeySAWLOGHKTYLQIO-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.47
Rot. Bonds5

About N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine

N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine (PubChem CID 82870566) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
PubChem CID82870566
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)C)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C19H24ClN/c1-5-21-19(18-12-17(20)11-6-14(18)4)16-9-7-15(8-10-16)13(2)3/h6-13,19,21H,5H2,1-4H3
InChIKeySAWLOGHKTYLQIO-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.47
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)-phenylmethyl]ethanamine
CID 82883967
N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 82870796
N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine
CID 82870807
[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105304337
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82883365
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248
N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487938
N-[(5-chloro-2-methylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 82871484
N-[(2-chloro-4,5-dimethylphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115484011
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
CID 43489020
N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859932

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine (CID 82870566) is N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine is CCNC(c1ccc(C(C)C)cc1)c1cc(Cl)ccc1C.
What is the InChIKey of N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine?
The InChIKey is SAWLOGHKTYLQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-5-21-19(18-12-17(20)11-6-14(18)4)16-9-7-15(8-10-16)13(2)3/h6-13,19,21H,5H2,1-4H3.
What are the key properties of N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine?
N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine has a molecular weight of 301.86 g/mol, XLogP of 5.47, 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-propan-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 82870566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).