N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine

C15H22ClN — CID 103560864

IUPACN-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCC(NC1CC(C(C)C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-10(2)13-8-15(9-13)17-11(3)12-4-6-14(16)7-5-12/h4-7,10-11,13,15,17H,8-9H2,1-3H3
InChIKeyKXLVIBKDHVFBOP-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.43
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine

N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103560864) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
PubChem CID103560864
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCC(NC1CC(C(C)C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-10(2)13-8-15(9-13)17-11(3)12-4-6-14(16)7-5-12/h4-7,10-11,13,15,17H,8-9H2,1-3H3
InChIKeyKXLVIBKDHVFBOP-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine (CID 103560864) is N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine is CC(NC1CC(C(C)C)C1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is KXLVIBKDHVFBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-10(2)13-8-15(9-13)17-11(3)12-4-6-14(16)7-5-12/h4-7,10-11,13,15,17H,8-9H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine?
N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103560864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).