3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine

C18H19BrClN — CID 43634220

IUPAC3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine
SMILESCC(NC1CC(c2ccccc2Br)C1)c1cccc(Cl)c1
InChIInChI=1S/C18H19BrClN/c1-12(13-5-4-6-15(20)9-13)21-16-10-14(11-16)17-7-2-3-8-18(17)19/h2-9,12,14,16,21H,10-11H2,1H3
InChIKeyVVYULIDZCMYBPO-UHFFFAOYSA-N
MW364.71 g/mol
LogP5.70
Rot. Bonds4

About 3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine

3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine (PubChem CID 43634220) has the molecular formula C18H19BrClN and a molecular weight of 364.71 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine
PubChem CID43634220
Molecular FormulaC18H19BrClN
Molecular Weight364.71 g/mol
Exact Mass363.04
IUPAC Name3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine
SMILESCC(NC1CC(c2ccccc2Br)C1)c1cccc(Cl)c1
InChIInChI=1S/C18H19BrClN/c1-12(13-5-4-6-15(20)9-13)21-16-10-14(11-16)17-7-2-3-8-18(17)19/h2-9,12,14,16,21H,10-11H2,1H3
InChIKeyVVYULIDZCMYBPO-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.71
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-N-propan-2-ylcyclobutan-1-amine
CID 43632648
N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 43634212
3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 63478374
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine
CID 63989921
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine
CID 81349466
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81366711
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149523
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81366354
3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632723
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]-4-chloroaniline
CID 81262120
N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline
CID 43633251

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine (CID 43634220) is 3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine is CC(NC1CC(c2ccccc2Br)C1)c1cccc(Cl)c1.
What is the InChIKey of 3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine?
The InChIKey is VVYULIDZCMYBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN/c1-12(13-5-4-6-15(20)9-13)21-16-10-14(11-16)17-7-2-3-8-18(17)19/h2-9,12,14,16,21H,10-11H2,1H3.
What are the key properties of 3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine?
3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine has a molecular weight of 364.71 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 43634220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).