2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine

C19H24ClN — CID 63497236

IUPAC2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine
SMILESCC(C)c1ccc(CC(CN)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClN/c1-14(2)18-7-3-15(4-8-18)11-17(13-21)12-16-5-9-19(20)10-6-16/h3-10,14,17H,11-13,21H2,1-2H3
InChIKeyACJGJUYUGGKKPL-UHFFFAOYSA-N
MW301.86 g/mol
LogP4.82
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine

2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine (PubChem CID 63497236) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine
PubChem CID63497236
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine
SMILESCC(C)c1ccc(CC(CN)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClN/c1-14(2)18-7-3-15(4-8-18)11-17(13-21)12-16-5-9-19(20)10-6-16/h3-10,14,17H,11-13,21H2,1-2H3
InChIKeyACJGJUYUGGKKPL-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63498649
1-[2-(bromomethyl)-3-(4-chlorophenyl)propyl]-4-propan-2-ylbenzene
CID 66041082
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530370
2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 81014991
2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456503
2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309618
1-(4-chlorophenyl)propan-2-amine
CID 3127
3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 83139380
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
(3S,5S)-3-(aminomethyl)-6-(4-chlorophenyl)-5-methylhexanoic acid
CID 53241093
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine (CID 63497236) is 2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine is CC(C)c1ccc(CC(CN)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine?
The InChIKey is ACJGJUYUGGKKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-14(2)18-7-3-15(4-8-18)11-17(13-21)12-16-5-9-19(20)10-6-16/h3-10,14,17H,11-13,21H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine?
2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 63497236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).