2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile

C14H17BrN2 — CID 81382987

IUPAC2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
SMILESC[C@H](NCC1(CC#N)CC1)c1ccccc1Br
InChIInChI=1S/C14H17BrN2/c1-11(12-4-2-3-5-13(12)15)17-10-14(6-7-14)8-9-16/h2-5,11,17H,6-8,10H2,1H3/t11-/m0/s1
InChIKeySDMRMWGRCZTSIX-NSHDSACASA-N
MW293.21 g/mol
LogP3.79
Rot. Bonds5

About 2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile

2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile (PubChem CID 81382987) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
PubChem CID81382987
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
SMILESC[C@H](NCC1(CC#N)CC1)c1ccccc1Br
InChIInChI=1S/C14H17BrN2/c1-11(12-4-2-3-5-13(12)15)17-10-14(6-7-14)8-9-16/h2-5,11,17H,6-8,10H2,1H3/t11-/m0/s1
InChIKeySDMRMWGRCZTSIX-NSHDSACASA-N
XLogP3.79
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65116278
2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81353637
2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile
CID 65480567
2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81365372
2-[(1S)-1-[[1-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]cyclopropyl]methylamino]ethyl]phenol
CID 71049425
1-(2-bromophenyl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80527896
N-[1-(2-bromophenyl)ethyl]but-2-yn-1-amine
CID 115865718
(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81378377
2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile
CID 113430210
2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol
CID 113383829
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
(1S)-1-(2-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132284

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile (CID 81382987) is 2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile is C[C@H](NCC1(CC#N)CC1)c1ccccc1Br.
What is the InChIKey of 2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is SDMRMWGRCZTSIX-NSHDSACASA-N. The full InChI is InChI=1S/C14H17BrN2/c1-11(12-4-2-3-5-13(12)15)17-10-14(6-7-14)8-9-16/h2-5,11,17H,6-8,10H2,1H3/t11-/m0/s1.
What are the key properties of 2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 293.21 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 81382987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).