N-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine

C22H27Cl2N — CID 70241563

IUPACN-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine
SMILESCC(CCc1ccc(C2CC(Cl)C2Cl)cc1)N(C)Cc1ccccc1
InChIInChI=1S/C22H27Cl2N/c1-16(25(2)15-18-6-4-3-5-7-18)8-9-17-10-12-19(13-11-17)20-14-21(23)22(20)24/h3-7,10-13,16,20-22H,8-9,14-15H2,1-2H3
InChIKeyFAYDBMHOMBEOBJ-UHFFFAOYSA-N
MW376.37 g/mol
LogP5.84
Rot. Bonds7

About N-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine

N-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine (PubChem CID 70241563) has the molecular formula C22H27Cl2N and a molecular weight of 376.37 g/mol. Its IUPAC name is N-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine
PubChem CID70241563
Molecular FormulaC22H27Cl2N
Molecular Weight376.37 g/mol
Exact Mass375.15
IUPAC NameN-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine
SMILESCC(CCc1ccc(C2CC(Cl)C2Cl)cc1)N(C)Cc1ccccc1
InChIInChI=1S/C22H27Cl2N/c1-16(25(2)15-18-6-4-3-5-7-18)8-9-17-10-12-19(13-11-17)20-14-21(23)22(20)24/h3-7,10-13,16,20-22H,8-9,14-15H2,1-2H3
InChIKeyFAYDBMHOMBEOBJ-UHFFFAOYSA-N
XLogP5.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.37
LogP ≤ 55.84
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

acetonitrile;N-benzyl-1-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylpentan-3-amine
CID 70241384
acetonitrile;4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70238961
acetonitrile;4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-ethyl-N-(2-phenylethyl)butan-2-amine
CID 70238788
acetonitrile;N-benzyl-4-[4-(2,6-dichlorocyclohexyl)phenyl]-N-methylbutan-2-amine
CID 70241896
acetonitrile;N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-methylbutan-2-amine
CID 70241157
acetonitrile;1-[4-(2,3-dichlorocyclobutyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine
CID 70241070
acetonitrile;1-[4-(2,3-dichlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine
CID 70239066
acetonitrile;N-benzyl-4-[4-(2,6-difluorocyclohexyl)phenyl]-N-methylbutan-2-amine
CID 70244193
acetonitrile;N-benzyl-N-methyl-4-[4-[3-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine
CID 70244167
1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine
CID 70242485
4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70238912
N-benzyl-3-[4-(2-chlorocyclopropyl)phenyl]-N-propylpropan-1-amine
CID 70243047

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine?
The IUPAC name of N-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine (CID 70241563) is N-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine?
The canonical SMILES for N-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine is CC(CCc1ccc(C2CC(Cl)C2Cl)cc1)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine?
The InChIKey is FAYDBMHOMBEOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N/c1-16(25(2)15-18-6-4-3-5-7-18)8-9-17-10-12-19(13-11-17)20-14-21(23)22(20)24/h3-7,10-13,16,20-22H,8-9,14-15H2,1-2H3.
What are the key properties of N-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine?
N-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine has a molecular weight of 376.37 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine is sourced from PubChem (CID 70241563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).