4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine

C25H34ClN — CID 70238912

IUPAC4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
SMILESCC(C)N(CCc1ccccc1)C(C)CCc1ccc(C2CCC2Cl)cc1
InChIInChI=1S/C25H34ClN/c1-19(2)27(18-17-21-7-5-4-6-8-21)20(3)9-10-22-11-13-23(14-12-22)24-15-16-25(24)26/h4-8,11-14,19-20,24-25H,9-10,15-18H2,1-3H3
InChIKeyOJSTXTOCCHAOLF-UHFFFAOYSA-N
MW384.01 g/mol
LogP6.45
Rot. Bonds9

About 4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine

4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine (PubChem CID 70238912) has the molecular formula C25H34ClN and a molecular weight of 384.01 g/mol. Its IUPAC name is 4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
PubChem CID70238912
Molecular FormulaC25H34ClN
Molecular Weight384.01 g/mol
Exact Mass383.24
IUPAC Name4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
SMILESCC(C)N(CCc1ccccc1)C(C)CCc1ccc(C2CCC2Cl)cc1
InChIInChI=1S/C25H34ClN/c1-19(2)27(18-17-21-7-5-4-6-8-21)20(3)9-10-22-11-13-23(14-12-22)24-15-16-25(24)26/h4-8,11-14,19-20,24-25H,9-10,15-18H2,1-3H3
InChIKeyOJSTXTOCCHAOLF-UHFFFAOYSA-N
XLogP6.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.01
LogP ≤ 56.45
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;4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70238961
N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine
CID 70241839
1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
CID 70241618
N-(2-phenylethyl)-N-propan-2-yl-1-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70244106
acetonitrile;4-[4-(3,4-difluorocyclohexyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70242785
N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70242616
1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine
CID 70242485
N-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine
CID 70241563
acetonitrile;4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-ethyl-N-(2-phenylethyl)butan-2-amine
CID 70238788
acetonitrile;N-benzyl-4-[4-(2-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70243066
N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
CID 70241233
N-benzyl-4-[4-(2,6-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70241789

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine?
The IUPAC name of 4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine (CID 70238912) is 4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine is CC(C)N(CCc1ccccc1)C(C)CCc1ccc(C2CCC2Cl)cc1.
What is the InChIKey of 4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine?
The InChIKey is OJSTXTOCCHAOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN/c1-19(2)27(18-17-21-7-5-4-6-8-21)20(3)9-10-22-11-13-23(14-12-22)24-15-16-25(24)26/h4-8,11-14,19-20,24-25H,9-10,15-18H2,1-3H3.
What are the key properties of 4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine?
4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine has a molecular weight of 384.01 g/mol, XLogP of 6.45, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 70238912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).