2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile

C14H17ClN2 — CID 81353637

IUPAC2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
SMILESC[C@H](NCC1(CC#N)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2/c1-11(12-2-4-13(15)5-3-12)17-10-14(6-7-14)8-9-16/h2-5,11,17H,6-8,10H2,1H3/t11-/m0/s1
InChIKeyXUFQFYNSXALXJM-NSHDSACASA-N
MW248.76 g/mol
LogP3.68
Rot. Bonds5

About 2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile

2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile (PubChem CID 81353637) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
PubChem CID81353637
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
SMILESC[C@H](NCC1(CC#N)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2/c1-11(12-2-4-13(15)5-3-12)17-10-14(6-7-14)8-9-16/h2-5,11,17H,6-8,10H2,1H3/t11-/m0/s1
InChIKeyXUFQFYNSXALXJM-NSHDSACASA-N
XLogP3.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile
CID 65480567
2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81365372
1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile
CID 65493424
2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81382987
3-[1-(4-chlorophenyl)ethylamino]propanenitrile
CID 43183179
2-[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103921936
2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile
CID 65479940
4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
CID 115454338
N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 103734794
3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
CID 103904766
2-[1-[(5-chloro-2-fluoroanilino)methyl]cyclopropyl]acetonitrile
CID 65479769

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile (CID 81353637) is 2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile is C[C@H](NCC1(CC#N)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is XUFQFYNSXALXJM-NSHDSACASA-N. The full InChI is InChI=1S/C14H17ClN2/c1-11(12-2-4-13(15)5-3-12)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-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 248.76 g/mol, XLogP of 3.68, 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-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 81353637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).