1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol

C12H16ClNO — CID 154220297

IUPAC1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol
SMILESCCCC(NC)=C(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-3-4-11(14-2)12(15)9-5-7-10(13)8-6-9/h5-8,14-15H,3-4H2,1-2H3
InChIKeySOBINWSGYXRJND-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.59
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol

1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol (PubChem CID 154220297) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol
PubChem CID154220297
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol
SMILESCCCC(NC)=C(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-3-4-11(14-2)12(15)9-5-7-10(13)8-6-9/h5-8,14-15H,3-4H2,1-2H3
InChIKeySOBINWSGYXRJND-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[chloro-(4-chlorophenyl)methylidene]pentanal
CID 3019219
[(Z)-1-(4-chlorophenyl)butylideneamino]urea
CID 8971834
1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane
CID 143850476
(E)-3-(4-chlorophenyl)hept-2-enoic acid
CID 82049214
(Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol
CID 134318703
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)heptan-1-one
CID 12510889
(3Z)-3-[(4-chlorophenyl)-hydroxymethylidene]-1,1,1-trifluoropentan-2-one
CID 10802587
1-[(Z)-1-(4-chlorophenyl)butylideneamino]-3-ethylthiourea
CID 8978742
(E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one
CID 135496305
N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide
CID 3727676
2-[(4-chlorophenyl)methylidene]pentanoic acid
CID 3248442

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol (CID 154220297) is 1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol is CCCC(NC)=C(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol?
The InChIKey is SOBINWSGYXRJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-4-11(14-2)12(15)9-5-7-10(13)8-6-9/h5-8,14-15H,3-4H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol?
1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol has a molecular weight of 225.72 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol is sourced from PubChem (CID 154220297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).