(2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine

C16H16BrN — CID 138039926

IUPAC(2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine
SMILESNC(c1ccccc1Br)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C16H16BrN/c17-15-9-5-4-8-12(15)16(18)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14,16H,10,18H2/t13-,14-,16?/m1/s1
InChIKeyGWYQSCNWPFVNLT-UIDSBSESSA-N
MW302.22 g/mol
LogP4.25
Rot. Bonds3

About (2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine

(2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine (PubChem CID 138039926) has the molecular formula C16H16BrN and a molecular weight of 302.22 g/mol. Its IUPAC name is (2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine.

Molecular Properties

Compound Name(2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine
PubChem CID138039926
Molecular FormulaC16H16BrN
Molecular Weight302.22 g/mol
Exact Mass301.05
IUPAC Name(2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine
SMILESNC(c1ccccc1Br)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C16H16BrN/c17-15-9-5-4-8-12(15)16(18)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14,16H,10,18H2/t13-,14-,16?/m1/s1
InChIKeyGWYQSCNWPFVNLT-UIDSBSESSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine
CID 106648123
(2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine
CID 107946944
(2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine
CID 105052652
(2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride
CID 138040827
2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid
CID 116516668
(4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine
CID 105052562
(2-phenylcyclopropyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018334
[(3-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341539
(5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine
CID 105189029
[(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341547
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
[2-(2-bromophenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105215061

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine?
The IUPAC name of (2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine (CID 138039926) is (2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine.
What is the SMILES notation for (2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine?
The canonical SMILES for (2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine is NC(c1ccccc1Br)[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of (2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine?
The InChIKey is GWYQSCNWPFVNLT-UIDSBSESSA-N. The full InChI is InChI=1S/C16H16BrN/c17-15-9-5-4-8-12(15)16(18)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14,16H,10,18H2/t13-,14-,16?/m1/s1.
What are the key properties of (2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine?
(2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine has a molecular weight of 302.22 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine is sourced from PubChem (CID 138039926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).