(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine

C13H18BrN — CID 93102752

IUPAC(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
SMILESC[C@H](N[C@@H](C)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C13H18BrN/c1-9(11-6-7-11)15-10(2)12-4-3-5-13(14)8-12/h3-5,8-11,15H,6-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyTZTXPIVIGYUQSH-UWVGGRQHSA-N
MW268.20 g/mol
LogP3.90
Rot. Bonds4

About (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine

(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine (PubChem CID 93102752) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine.

Molecular Properties

Compound Name(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
PubChem CID93102752
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
SMILESC[C@H](N[C@@H](C)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C13H18BrN/c1-9(11-6-7-11)15-10(2)12-4-3-5-13(14)8-12/h3-5,8-11,15H,6-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyTZTXPIVIGYUQSH-UWVGGRQHSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81382422
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81381973
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine
CID 112743237
N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine
CID 115733485
3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
CID 43776526
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219
(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81382647
1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 43740628

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine?
The IUPAC name of (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine (CID 93102752) is (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine.
What is the SMILES notation for (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine?
The canonical SMILES for (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine is C[C@H](N[C@@H](C)C1CC1)c1cccc(Br)c1.
What is the InChIKey of (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine?
The InChIKey is TZTXPIVIGYUQSH-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H18BrN/c1-9(11-6-7-11)15-10(2)12-4-3-5-13(14)8-12/h3-5,8-11,15H,6-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine?
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine has a molecular weight of 268.20 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine is sourced from PubChem (CID 93102752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).