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

C17H17BrClN — CID 63478374

IUPAC3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine
SMILESClc1cccc(CNC2CC(c3ccccc3Br)C2)c1
InChIInChI=1S/C17H17BrClN/c18-17-7-2-1-6-16(17)13-9-15(10-13)20-11-12-4-3-5-14(19)8-12/h1-8,13,15,20H,9-11H2
InChIKeyRRCCLMFXBBOMSD-UHFFFAOYSA-N
MW350.69 g/mol
LogP5.14
Rot. Bonds4

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

3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine (PubChem CID 63478374) has the molecular formula C17H17BrClN and a molecular weight of 350.69 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine
PubChem CID63478374
Molecular FormulaC17H17BrClN
Molecular Weight350.69 g/mol
Exact Mass349.02
IUPAC Name3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine
SMILESClc1cccc(CNC2CC(c3ccccc3Br)C2)c1
InChIInChI=1S/C17H17BrClN/c18-17-7-2-1-6-16(17)13-9-15(10-13)20-11-12-4-3-5-14(19)8-12/h1-8,13,15,20H,9-11H2
InChIKeyRRCCLMFXBBOMSD-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.69
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
CID 43634508
3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine
CID 43633182
3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634220
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]-4-chloroaniline
CID 81262120
N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline
CID 43633020
6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
CID 107849622
N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline
CID 43634088
3-(2-bromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclobutan-1-amine
CID 106392117
3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106181318
3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
CID 43634506
3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634406
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine (CID 63478374) is 3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine is Clc1cccc(CNC2CC(c3ccccc3Br)C2)c1.
What is the InChIKey of 3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine?
The InChIKey is RRCCLMFXBBOMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN/c18-17-7-2-1-6-16(17)13-9-15(10-13)20-11-12-4-3-5-14(19)8-12/h1-8,13,15,20H,9-11H2.
What are the key properties of 3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine?
3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine has a molecular weight of 350.69 g/mol, XLogP of 5.14, 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-[(3-chlorophenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 63478374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).