[4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol

C12H16ClNO — CID 106438185

IUPAC[4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol
SMILESC/C(=C/Cl)CNCc1ccc(CO)cc1
InChIInChI=1S/C12H16ClNO/c1-10(6-13)7-14-8-11-2-4-12(9-15)5-3-11/h2-6,14-15H,7-9H2,1H3/b10-6-
InChIKeyJPYNVQUTTQUBLZ-POHAHGRESA-N
MW225.72 g/mol
LogP2.41
Rot. Bonds5

About [4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol

[4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol (PubChem CID 106438185) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is [4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol
PubChem CID106438185
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name[4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol
SMILESC/C(=C/Cl)CNCc1ccc(CO)cc1
InChIInChI=1S/C12H16ClNO/c1-10(6-13)7-14-8-11-2-4-12(9-15)5-3-11/h2-6,14-15H,7-9H2,1H3/b10-6-
InChIKeyJPYNVQUTTQUBLZ-POHAHGRESA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol with MolForge

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Related Compounds

(Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 106437714
(Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine
CID 106437509
[4-[(2-methylidenebutylamino)methyl]phenyl]methanol
CID 107230812
(Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 106437449
(Z)-4-[(4-chlorophenyl)methylamino]-3-methylbut-2-enoic acid
CID 103230482
(Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine
CID 106437650
N-[[4-(hydroxymethyl)phenyl]methyl]formamide
CID 58613645
3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 106437836
3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine
CID 106437542
N-[[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]-2-methoxyethanamine
CID 106436928
[4-[(nonylamino)methyl]phenyl]methanol
CID 107230873
4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
CID 107230759

Frequently Asked Questions

What is the IUPAC name of [4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol (CID 106438185) is [4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol is C/C(=C/Cl)CNCc1ccc(CO)cc1.
What is the InChIKey of [4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol?
The InChIKey is JPYNVQUTTQUBLZ-POHAHGRESA-N. The full InChI is InChI=1S/C12H16ClNO/c1-10(6-13)7-14-8-11-2-4-12(9-15)5-3-11/h2-6,14-15H,7-9H2,1H3/b10-6-.
What are the key properties of [4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol?
[4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol has a molecular weight of 225.72 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 106438185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).