1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine

C14H20BrN — CID 115921982

IUPAC1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine
SMILESCC(C)C(C)NC1(c2ccccc2Br)CC1
InChIInChI=1S/C14H20BrN/c1-10(2)11(3)16-14(8-9-14)12-6-4-5-7-13(12)15/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyMQOMBTNUEIAVEB-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.07
Rot. Bonds4

About 1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine

1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine (PubChem CID 115921982) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine
PubChem CID115921982
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine
SMILESCC(C)C(C)NC1(c2ccccc2Br)CC1
InChIInChI=1S/C14H20BrN/c1-10(2)11(3)16-14(8-9-14)12-6-4-5-7-13(12)15/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyMQOMBTNUEIAVEB-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine (CID 115921982) is 1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine is CC(C)C(C)NC1(c2ccccc2Br)CC1.
What is the InChIKey of 1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine?
The InChIKey is MQOMBTNUEIAVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10(2)11(3)16-14(8-9-14)12-6-4-5-7-13(12)15/h4-7,10-11,16H,8-9H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine?
1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 115921982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).