N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine

C15H24ClN — CID 65025934

IUPACN-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine
SMILESCCCC(C)CNC(CCl)Cc1ccccc1
InChIInChI=1S/C15H24ClN/c1-3-7-13(2)12-17-15(11-16)10-14-8-5-4-6-9-14/h4-6,8-9,13,15,17H,3,7,10-12H2,1-2H3
InChIKeyHBUZRCVFCSLZOD-UHFFFAOYSA-N
MW253.82 g/mol
LogP3.86
Rot. Bonds8

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

N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine (PubChem CID 65025934) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine
PubChem CID65025934
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine
SMILESCCCC(C)CNC(CCl)Cc1ccccc1
InChIInChI=1S/C15H24ClN/c1-3-7-13(2)12-17-15(11-16)10-14-8-5-4-6-9-14/h4-6,8-9,13,15,17H,3,7,10-12H2,1-2H3
InChIKeyHBUZRCVFCSLZOD-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 53.86
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

2-(2-methylpentylamino)-3-phenylpropan-1-ol
CID 63260515
N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
CID 63478564
N-(1-chloro-3-phenylpropan-2-yl)octan-1-amine
CID 65026152
(2S)-2-[[4-[2-[bis[2-[bis[4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methylbutyl]amino]ethyl]amino]ethyl-[4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methylbutyl]amino]-2-methylbutyl]amino]-3-phenylpropan-1-ol
CID 102481876
4-(2-methylbutylamino)-5-phenylpentanoic acid
CID 122045900
4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
CID 122045966
1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine
CID 65025981
(2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine
CID 10588599
N-(1-chloropropan-2-yl)-2-methylpentan-1-amine
CID 65025793
3-methyl-4-(1-phenylpropan-2-ylamino)butan-1-ol
CID 66090361
N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide
CID 65030823
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine (CID 65025934) is N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine is CCCC(C)CNC(CCl)Cc1ccccc1.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine?
The InChIKey is HBUZRCVFCSLZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-3-7-13(2)12-17-15(11-16)10-14-8-5-4-6-9-14/h4-6,8-9,13,15,17H,3,7,10-12H2,1-2H3.
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine?
N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 3.86, 8 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)-2-methylpentan-1-amine is sourced from PubChem (CID 65025934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).