N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine

C13H20ClN — CID 110174057

IUPACN-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)N(C)CCCCl
InChIInChI=1S/C13H20ClN/c1-12(15(2)10-6-9-14)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3
InChIKeyRTGLCATYGZOGFT-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.18
Rot. Bonds6

About N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine

N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine (PubChem CID 110174057) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine
PubChem CID110174057
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC NameN-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)N(C)CCCCl
InChIInChI=1S/C13H20ClN/c1-12(15(2)10-6-9-14)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3
InChIKeyRTGLCATYGZOGFT-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-phenyl-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 158918700
N-methyl-5-phenyl-N-(1-phenylpropan-2-yl)pentan-1-amine
CID 14831238
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
CID 87517815
1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine
CID 113285453
(2R)-N-bromo-N-chloro-1-phenylpropan-2-amine
CID 90999480
N-bromo-N-chloro-1-phenylpropan-2-amine
CID 143939583
(2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine
CID 76961163
(2S)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine;(2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine
CID 76969725
N-(3-chloropropyl)-N-methylbutan-2-amine
CID 61287944
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87223086
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine?
The IUPAC name of N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine (CID 110174057) is N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine is CC(Cc1ccccc1)N(C)CCCCl.
What is the InChIKey of N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine?
The InChIKey is RTGLCATYGZOGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-12(15(2)10-6-9-14)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine?
N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine has a molecular weight of 225.76 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 110174057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).