N-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine

C12H15ClF3N — CID 65025592

IUPACN-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNC(CCl)Cc1ccccc1
InChIInChI=1S/C12H15ClF3N/c13-9-11(17-7-6-12(14,15)16)8-10-4-2-1-3-5-10/h1-5,11,17H,6-9H2
InChIKeyNXNWMPSQQXXJFN-UHFFFAOYSA-N
MW265.71 g/mol
LogP3.38
Rot. Bonds6

About N-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine

N-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 65025592) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID65025592
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNC(CCl)Cc1ccccc1
InChIInChI=1S/C12H15ClF3N/c13-9-11(17-7-6-12(14,15)16)8-10-4-2-1-3-5-10/h1-5,11,17H,6-9H2
InChIKeyNXNWMPSQQXXJFN-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine
CID 65025981
N-(1-chloro-3-phenylpropan-2-yl)octan-1-amine
CID 65026152
1-chloro-N-[(3-chlorophenyl)methyl]-3-phenylpropan-2-amine
CID 65025931
1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine
CID 65025476
N-[2-(4-bromophenoxy)ethyl]-1-chloro-3-phenylpropan-2-amine
CID 65025362
(2S)-3-phenyl-1-N-(3,3,3-trifluoropropyl)propane-1,2-diamine
CID 112736688
N-[(2-bromophenyl)methyl]-1-chloro-3-phenylpropan-2-amine
CID 65026156
1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214527
N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine
CID 65025934
1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine
CID 65025528
N-[(3-bromo-5-fluorophenyl)methyl]-1-chloro-3-phenylpropan-2-amine
CID 79708953
N-(1-chloro-3-phenylpropan-2-yl)-3,3-dimethylbutanamide
CID 114300429

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine (CID 65025592) is N-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine is FC(F)(F)CCNC(CCl)Cc1ccccc1.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is NXNWMPSQQXXJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N/c13-9-11(17-7-6-12(14,15)16)8-10-4-2-1-3-5-10/h1-5,11,17H,6-9H2.
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine?
N-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 265.71 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 65025592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).