N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine

C14H22ClN — CID 115920215

IUPACN-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine
SMILESCCC(C)NC(C)(C)Cc1ccccc1Cl
InChIInChI=1S/C14H22ClN/c1-5-11(2)16-14(3,4)10-12-8-6-7-9-13(12)15/h6-9,11,16H,5,10H2,1-4H3
InChIKeyBPICCMKUVXPZDQ-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.05
Rot. Bonds5

About N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine

N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine (PubChem CID 115920215) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine
PubChem CID115920215
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine
SMILESCCC(C)NC(C)(C)Cc1ccccc1Cl
InChIInChI=1S/C14H22ClN/c1-5-11(2)16-14(3,4)10-12-8-6-7-9-13(12)15/h6-9,11,16H,5,10H2,1-4H3
InChIKeyBPICCMKUVXPZDQ-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol
CID 66060666
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119774350
3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62725326
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine
CID 62565595
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene
CID 79452940
N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109248845
2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509342
N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine
CID 62964473
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717039
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929
2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine
CID 84752536

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine?
The IUPAC name of N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine (CID 115920215) is N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine is CCC(C)NC(C)(C)Cc1ccccc1Cl.
What is the InChIKey of N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine?
The InChIKey is BPICCMKUVXPZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-5-11(2)16-14(3,4)10-12-8-6-7-9-13(12)15/h6-9,11,16H,5,10H2,1-4H3.
What are the key properties of N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine?
N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine has a molecular weight of 239.79 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 115920215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).