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

C19H22BrN — CID 81355085

IUPAC3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1ccccc1[C@H](C)NC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C19H22BrN/c1-13-6-3-4-9-19(13)14(2)21-18-11-16(12-18)15-7-5-8-17(20)10-15/h3-10,14,16,18,21H,11-12H2,1-2H3/t14-,16?,18?/m0/s1
InChIKeyCSQDVUYIEIFBJS-NXVRBGIVSA-N
MW344.30 g/mol
LogP5.35
Rot. Bonds4

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

3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine (PubChem CID 81355085) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
PubChem CID81355085
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1ccccc1[C@H](C)NC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C19H22BrN/c1-13-6-3-4-9-19(13)14(2)21-18-11-16(12-18)15-7-5-8-17(20)10-15/h3-10,14,16,18,21H,11-12H2,1-2H3/t14-,16?,18?/m0/s1
InChIKeyCSQDVUYIEIFBJS-NXVRBGIVSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 81375684
3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 81363104
3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine
CID 43685032
3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 60926948
3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 83177483
(3R)-3-(3-bromophenyl)-N-[(1R)-1-(4-fluoronaphthalen-1-yl)ethyl]cyclopentan-1-amine
CID 70916298
N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43680086
3-(3-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 106704306
3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634204
3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine
CID 64602754
N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
CID 158787446
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine (CID 81355085) is 3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine is Cc1ccccc1[C@H](C)NC1CC(c2cccc(Br)c2)C1.
What is the InChIKey of 3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is CSQDVUYIEIFBJS-NXVRBGIVSA-N. The full InChI is InChI=1S/C19H22BrN/c1-13-6-3-4-9-19(13)14(2)21-18-11-16(12-18)15-7-5-8-17(20)10-15/h3-10,14,16,18,21H,11-12H2,1-2H3/t14-,16?,18?/m0/s1.
What are the key properties of 3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine has a molecular weight of 344.30 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 81355085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).