[3-(but-3-enylamino)-4-chlorophenyl]methanol

C11H14ClNO — CID 111448182

IUPAC[3-(but-3-enylamino)-4-chlorophenyl]methanol
SMILESC=CCCNc1cc(CO)ccc1Cl
InChIInChI=1S/C11H14ClNO/c1-2-3-6-13-11-7-9(8-14)4-5-10(11)12/h2,4-5,7,13-14H,1,3,6,8H2
InChIKeyBBVJWDQVSQNZTL-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.82
Rot. Bonds5

About [3-(but-3-enylamino)-4-chlorophenyl]methanol

[3-(but-3-enylamino)-4-chlorophenyl]methanol (PubChem CID 111448182) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is [3-(but-3-enylamino)-4-chlorophenyl]methanol.

Molecular Properties

Compound Name[3-(but-3-enylamino)-4-chlorophenyl]methanol
PubChem CID111448182
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name[3-(but-3-enylamino)-4-chlorophenyl]methanol
SMILESC=CCCNc1cc(CO)ccc1Cl
InChIInChI=1S/C11H14ClNO/c1-2-3-6-13-11-7-9(8-14)4-5-10(11)12/h2,4-5,7,13-14H,1,3,6,8H2
InChIKeyBBVJWDQVSQNZTL-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol
CID 111466184
2-chloro-N-hept-6-enyl-5-methylaniline
CID 107634399
[4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol
CID 111777982
[4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol
CID 115877219
[4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol
CID 111466189
[4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol
CID 110929576
[4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol
CID 115929963
[4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol
CID 81152411
2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 95292352
2-N-but-3-enylbenzene-1,2-diamine
CID 15062875
2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 111777979
N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide
CID 110923541

Frequently Asked Questions

What is the IUPAC name of [3-(but-3-enylamino)-4-chlorophenyl]methanol?
The IUPAC name of [3-(but-3-enylamino)-4-chlorophenyl]methanol (CID 111448182) is [3-(but-3-enylamino)-4-chlorophenyl]methanol.
What is the SMILES notation for [3-(but-3-enylamino)-4-chlorophenyl]methanol?
The canonical SMILES for [3-(but-3-enylamino)-4-chlorophenyl]methanol is C=CCCNc1cc(CO)ccc1Cl.
What is the InChIKey of [3-(but-3-enylamino)-4-chlorophenyl]methanol?
The InChIKey is BBVJWDQVSQNZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-2-3-6-13-11-7-9(8-14)4-5-10(11)12/h2,4-5,7,13-14H,1,3,6,8H2.
What are the key properties of [3-(but-3-enylamino)-4-chlorophenyl]methanol?
[3-(but-3-enylamino)-4-chlorophenyl]methanol has a molecular weight of 211.69 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(but-3-enylamino)-4-chlorophenyl]methanol is sourced from PubChem (CID 111448182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).