(1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine

C14H20BrN — CID 81378593

IUPAC(1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccccc1Br)C1(C)CC1
InChIInChI=1S/C14H20BrN/c1-10(12-6-4-5-7-13(12)15)16-11(2)14(3)8-9-14/h4-7,10-11,16H,8-9H2,1-3H3/t10-,11?/m1/s1
InChIKeyDHFBQZHEGUHFLX-NFJWQWPMSA-N
MW282.22 g/mol
LogP4.29
Rot. Bonds4

About (1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine

(1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine (PubChem CID 81378593) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
PubChem CID81378593
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name(1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccccc1Br)C1(C)CC1
InChIInChI=1S/C14H20BrN/c1-10(12-6-4-5-7-13(12)15)16-11(2)14(3)8-9-14/h4-7,10-11,16H,8-9H2,1-3H3/t10-,11?/m1/s1
InChIKeyDHFBQZHEGUHFLX-NFJWQWPMSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine (CID 81378593) is (1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine is CC(N[C@H](C)c1ccccc1Br)C1(C)CC1.
What is the InChIKey of (1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
The InChIKey is DHFBQZHEGUHFLX-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10(12-6-4-5-7-13(12)15)16-11(2)14(3)8-9-14/h4-7,10-11,16H,8-9H2,1-3H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
(1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine has a molecular weight of 282.22 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine is sourced from PubChem (CID 81378593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).