N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine

C15H24ClN — CID 62964473

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine
SMILESCC(Cc1ccccc1Cl)NCCC(C)(C)C
InChIInChI=1S/C15H24ClN/c1-12(17-10-9-15(2,3)4)11-13-7-5-6-8-14(13)16/h5-8,12,17H,9-11H2,1-4H3
InChIKeyVZHCQLKSOFLZTB-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.30
Rot. Bonds5

About N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine

N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine (PubChem CID 62964473) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine
PubChem CID62964473
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine
SMILESCC(Cc1ccccc1Cl)NCCC(C)(C)C
InChIInChI=1S/C15H24ClN/c1-12(17-10-9-15(2,3)4)11-13-7-5-6-8-14(13)16/h5-8,12,17H,9-11H2,1-4H3
InChIKeyVZHCQLKSOFLZTB-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

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Related Compounds

1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
tert-butyl N-[3-[1-(2-chlorophenyl)propan-2-ylamino]propyl]carbamate
CID 103781133
1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
CID 43677533
N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine
CID 102868324
(1R)-1-(4-chlorophenyl)-2-[1-(2-chlorophenyl)propan-2-ylamino]ethanol
CID 70002682
1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene
CID 66050569
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252
1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine
CID 103783466
1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine
CID 63428003
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
CID 43677385
N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 167264738

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine (CID 62964473) is N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine is CC(Cc1ccccc1Cl)NCCC(C)(C)C.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine?
The InChIKey is VZHCQLKSOFLZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-12(17-10-9-15(2,3)4)11-13-7-5-6-8-14(13)16/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine?
N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 62964473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).