2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine

C15H24ClN — CID 63509342

IUPAC2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)Cc1ccccc1Cl
InChIInChI=1S/C15H24ClN/c1-4-10-17-12-15(3,5-2)11-13-8-6-7-9-14(13)16/h6-9,17H,4-5,10-12H2,1-3H3
InChIKeyZOILVUHDBFCRJC-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.30
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine

2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine (PubChem CID 63509342) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine
PubChem CID63509342
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)Cc1ccccc1Cl
InChIInChI=1S/C15H24ClN/c1-4-10-17-12-15(3,5-2)11-13-8-6-7-9-14(13)16/h6-9,17H,4-5,10-12H2,1-3H3
InChIKeyZOILVUHDBFCRJC-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
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-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62718301
2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol
CID 66060666
2-[(2-fluorophenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 63509772
3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62725326
2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509171
2-[(2-methoxyphenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 62724215
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene
CID 79452940
2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 55195865
2-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-N-propylbut-3-en-1-amine
CID 102859325
2,2-dimethyl-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 62723929
2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine
CID 62261498
2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63508313

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine (CID 63509342) is 2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine is CCCNCC(C)(CC)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine?
The InChIKey is ZOILVUHDBFCRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-4-10-17-12-15(3,5-2)11-13-8-6-7-9-14(13)16/h6-9,17H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine?
2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 63509342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).