N-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine

C13H20ClN — CID 20687183

IUPACN-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(Cc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C13H20ClN/c1-10(2)15(11(3)4)9-12-5-7-13(14)8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeySEZANFJHQLQHGI-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.96
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine

N-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 20687183) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine
PubChem CID20687183
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC NameN-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(Cc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C13H20ClN/c1-10(2)15(11(3)4)9-12-5-7-13(14)8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeySEZANFJHQLQHGI-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2710
Homochlorcyclizine
CID 3627
Chlorcyclizine Hydrochloride
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4-chloro-N-cyclopentylbenzylamine
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Benzyl triethylammonium chloride
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Benzenemethanamine, 4-chloro-N-methyl-
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Clofilium
CID 2798
Benzenemethanamine, 3-chloro-N-methyl-
CID 122721
Homochlorcyclizine dihydrochloride
CID 656590
Lauryldimethyl-3,4-dichlorobenzylammonium chloride
CID 7605
1-((4-Chlorophenyl)(phenyl)methyl)-4-methyl-1,4-diazepane--hydrogen chloride (1/1)
CID 6602662
(S)-(-)-1-(4-chlorophenyl)ethylamine
CID 1550852

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine (CID 20687183) is N-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine is CC(C)N(Cc1ccc(Cl)cc1)C(C)C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is SEZANFJHQLQHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-10(2)15(11(3)4)9-12-5-7-13(14)8-6-12/h5-8,10-11H,9H2,1-4H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine?
N-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 225.76 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 20687183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).