2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol

C15H20ClNO — CID 109397397

IUPAC2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol
SMILESOCC(C1CC1)N(C/C=C/Cl)Cc1ccccc1
InChIInChI=1S/C15H20ClNO/c16-9-4-10-17(15(12-18)14-7-8-14)11-13-5-2-1-3-6-13/h1-6,9,14-15,18H,7-8,10-12H2/b9-4+
InChIKeyIAPXEUUDIGAQEB-RUDMXATFSA-N
MW265.78 g/mol
LogP3.01
Rot. Bonds7

About 2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol

2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol (PubChem CID 109397397) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol.

Molecular Properties

Compound Name2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol
PubChem CID109397397
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol
SMILESOCC(C1CC1)N(C/C=C/Cl)Cc1ccccc1
InChIInChI=1S/C15H20ClNO/c16-9-4-10-17(15(12-18)14-7-8-14)11-13-5-2-1-3-6-13/h1-6,9,14-15,18H,7-8,10-12H2/b9-4+
InChIKeyIAPXEUUDIGAQEB-RUDMXATFSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl-[(2-chloro-3-pyridinyl)methyl]amino]-2-cyclopropylethanol
CID 109397389
2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol
CID 109397393
2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol
CID 109397382
N,N-dibenzyl-1-cyclopropylethane-1,2-diamine
CID 43655032
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(2R)-2-[(2S)-1-benzylaziridin-2-yl]-2-(dibenzylamino)ethanol
CID 11394671
N,N-dibenzyl-1-cyclopentylethane-1,2-diamine
CID 130158926
N-benzyl-4-cyano-N-(1-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 71908255
(E)-N-benzyl-3-chloro-N-(2-chloroethyl)prop-2-en-1-amine
CID 107900965
2-benzyl-3-cyclohexylpropan-1-ol
CID 66060213
2-benzyl-3-(cyclopropylamino)propan-1-ol
CID 117241557
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol?
The IUPAC name of 2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol (CID 109397397) is 2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol.
What is the SMILES notation for 2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol?
The canonical SMILES for 2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol is OCC(C1CC1)N(C/C=C/Cl)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol?
The InChIKey is IAPXEUUDIGAQEB-RUDMXATFSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-9-4-10-17(15(12-18)14-7-8-14)11-13-5-2-1-3-6-13/h1-6,9,14-15,18H,7-8,10-12H2/b9-4+.
What are the key properties of 2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol?
2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol has a molecular weight of 265.78 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol is sourced from PubChem (CID 109397397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).