N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine

C19H24ClN — CID 66160506

IUPACN-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine
SMILESCCCc1ccc(-c2ccc(Cl)cc2CNC(C)C)cc1
InChIInChI=1S/C19H24ClN/c1-4-5-15-6-8-16(9-7-15)19-11-10-18(20)12-17(19)13-21-14(2)3/h6-12,14,21H,4-5,13H2,1-3H3
InChIKeyOGGAJWUUGSMACM-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.46
Rot. Bonds6

About N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine

N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 66160506) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine
PubChem CID66160506
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine
SMILESCCCc1ccc(-c2ccc(Cl)cc2CNC(C)C)cc1
InChIInChI=1S/C19H24ClN/c1-4-5-15-6-8-16(9-7-15)19-11-10-18(20)12-17(19)13-21-14(2)3/h6-12,14,21H,4-5,13H2,1-3H3
InChIKeyOGGAJWUUGSMACM-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine
CID 66160680
N-[[5-chloro-2-(3,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 66160299
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 66158279
N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66158284
N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine
CID 106659183
N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]propan-1-amine
CID 66159130
N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 66159713
1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine
CID 116545376
N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine
CID 66158934
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 167531090
N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine
CID 66160704
N-[[5-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66158084

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine (CID 66160506) is N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine is CCCc1ccc(-c2ccc(Cl)cc2CNC(C)C)cc1.
What is the InChIKey of N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is OGGAJWUUGSMACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-5-15-6-8-16(9-7-15)19-11-10-18(20)12-17(19)13-21-14(2)3/h6-12,14,21H,4-5,13H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine?
N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 301.86 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 66160506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).