N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine

C13H20ClN — CID 62531246

IUPACN-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1ccccc1Cl
InChIInChI=1S/C13H20ClN/c1-11(2)10-15-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11,15H,5,7,9-10H2,1-2H3
InChIKeyYDGDDXAFPJAHKI-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.52
Rot. Bonds6

About N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine

N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine (PubChem CID 62531246) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
PubChem CID62531246
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC NameN-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1ccccc1Cl
InChIInChI=1S/C13H20ClN/c1-11(2)10-15-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11,15H,5,7,9-10H2,1-2H3
InChIKeyYDGDDXAFPJAHKI-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine
CID 64504930
4-(3-chloro-2-fluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 114489002
2-[3-(2-chlorophenyl)propylamino]ethanol
CID 70464320
3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 95168121
2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine
CID 65454764
2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine
CID 64504928
N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine
CID 24840689
4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65303527
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine
CID 115676904
2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
CID 70453735
2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine
CID 83148905

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine (CID 62531246) is N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine is CC(C)CNCCCc1ccccc1Cl.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine?
The InChIKey is YDGDDXAFPJAHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-11(2)10-15-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11,15H,5,7,9-10H2,1-2H3.
What are the key properties of N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine?
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62531246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).