4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine

C15H24ClN — CID 81015822

IUPAC4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClN/c1-4-8-17-11-13(3)12(2)9-14-6-5-7-15(16)10-14/h5-7,10,12-13,17H,4,8-9,11H2,1-3H3
InChIKeyNEMRIUZEDRCNPG-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.15
Rot. Bonds7

About 4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine

4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine (PubChem CID 81015822) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine
PubChem CID81015822
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClN/c1-4-8-17-11-13(3)12(2)9-14-6-5-7-15(16)10-14/h5-7,10,12-13,17H,4,8-9,11H2,1-3H3
InChIKeyNEMRIUZEDRCNPG-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.15
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

2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine
CID 65125259
N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine
CID 81015548
2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79436816
N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570853
2-[(3-chlorophenyl)methyl]-4-ethoxy-N-propylbutan-1-amine
CID 62515777
2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine
CID 63522811
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456686
2-[(3-chlorophenyl)methyl]-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62516119
1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
CID 4719833
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 65125794
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine (CID 81015822) is 4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine is CCCNCC(C)C(C)Cc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is NEMRIUZEDRCNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-4-8-17-11-13(3)12(2)9-14-6-5-7-15(16)10-14/h5-7,10,12-13,17H,4,8-9,11H2,1-3H3.
What are the key properties of 4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine?
4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 81015822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).