1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane

C12H14ClN — CID 84780048

IUPAC1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESClc1ccc(CC23CNCC2C3)cc1
InChIInChI=1S/C12H14ClN/c13-11-3-1-9(2-4-11)5-12-6-10(12)7-14-8-12/h1-4,10,14H,5-8H2
InChIKeyZNCONFFKSKSZEN-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.49
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane

1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 84780048) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID84780048
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESClc1ccc(CC23CNCC2C3)cc1
InChIInChI=1S/C12H14ClN/c13-11-3-1-9(2-4-11)5-12-6-10(12)7-14-8-12/h1-4,10,14H,5-8H2
InChIKeyZNCONFFKSKSZEN-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84777463
1-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84804235
1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84771998
3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 79451612
1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane
CID 84778581
4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol
CID 84777454
1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane
CID 84776446
(3aR,7aR)-7a-[(3,4-dichlorophenyl)methyl]-1,2,3,3a,4,5,6,7-octahydroisoindole
CID 53392851
3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
CID 79451717
3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine
CID 83821387
1-[(3R,4S)-3-benzyl-4-(4-chlorophenyl)pyrrolidin-3-yl]ethanone
CID 123493883
4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol
CID 84734044

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane (CID 84780048) is 1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane is Clc1ccc(CC23CNCC2C3)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is ZNCONFFKSKSZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c13-11-3-1-9(2-4-11)5-12-6-10(12)7-14-8-12/h1-4,10,14H,5-8H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane?
1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 207.70 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 84780048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).