[1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine

C12H16BrN — CID 67395688

IUPAC[1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine
SMILESNCC1(CCc2cccc(Br)c2)CC1
InChIInChI=1S/C12H16BrN/c13-11-3-1-2-10(8-11)4-5-12(9-14)6-7-12/h1-3,8H,4-7,9,14H2
InChIKeyXJLUEQOFOUTBIE-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.12
Rot. Bonds4

About [1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine

[1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine (PubChem CID 67395688) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is [1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine
PubChem CID67395688
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name[1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine
SMILESNCC1(CCc2cccc(Br)c2)CC1
InChIInChI=1S/C12H16BrN/c13-11-3-1-2-10(8-11)4-5-12(9-14)6-7-12/h1-3,8H,4-7,9,14H2
InChIKeyXJLUEQOFOUTBIE-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-bromophenyl)ethyl]cyclopropan-1-ol
CID 84702390
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide
CID 115271382
1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol
CID 115073744
1-bromo-3-[(1-propylcyclopropyl)methyl]benzene
CID 143267542
(3-bromophenyl)methanamine;hydroiodide
CID 175169219
(R)-2-(3-bromophenyl)ethanesulfinamide
CID 115046249
1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735508
2-(3-bromophenyl)ethanol
CID 2734090
magnesium;(3-bromophenyl)methanamine;dibromide
CID 174355920
N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
CID 119566788
1-(3-bromophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802419
4-(3-bromophenyl)-2,2-dimethylbutan-1-amine
CID 83549630

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine?
The IUPAC name of [1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine (CID 67395688) is [1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine is NCC1(CCc2cccc(Br)c2)CC1.
What is the InChIKey of [1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine?
The InChIKey is XJLUEQOFOUTBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c13-11-3-1-2-10(8-11)4-5-12(9-14)6-7-12/h1-3,8H,4-7,9,14H2.
What are the key properties of [1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine?
[1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine has a molecular weight of 254.17 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine is sourced from PubChem (CID 67395688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).