[4-[4-(methylamino)but-1-ynyl]phenyl]methanol

C12H15NO — CID 170463909

IUPAC[4-[4-(methylamino)but-1-ynyl]phenyl]methanol
SMILESCNCCC#Cc1ccc(CO)cc1
InChIInChI=1S/C12H15NO/c1-13-9-3-2-4-11-5-7-12(10-14)8-6-11/h5-8,13-14H,3,9-10H2,1H3
InChIKeyRJUSZCNXWBLHIY-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.14
Rot. Bonds3

About [4-[4-(methylamino)but-1-ynyl]phenyl]methanol

[4-[4-(methylamino)but-1-ynyl]phenyl]methanol (PubChem CID 170463909) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is [4-[4-(methylamino)but-1-ynyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-(methylamino)but-1-ynyl]phenyl]methanol
PubChem CID170463909
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name[4-[4-(methylamino)but-1-ynyl]phenyl]methanol
SMILESCNCCC#Cc1ccc(CO)cc1
InChIInChI=1S/C12H15NO/c1-13-9-3-2-4-11-5-7-12(10-14)8-6-11/h5-8,13-14H,3,9-10H2,1H3
InChIKeyRJUSZCNXWBLHIY-UHFFFAOYSA-N
XLogP1.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(methylamino)but-1-ynyl]phenol
CID 170463741
(4-hex-1-ynylphenyl)methanol
CID 101212882
[4-[4-(methylamino)but-1-ynyl]phenyl]urea
CID 170464678
N-[4-[4-(methylamino)but-1-ynyl]phenyl]-3-oxobutanamide
CID 170465249
4-(3,4-dichlorophenyl)-N-methylbut-3-yn-1-amine
CID 170463870
N-methyl-4-[4-(2,2,2-trifluoroethoxy)phenyl]but-3-yn-1-amine
CID 170465158
[3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol
CID 170463735
4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine
CID 170465339
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-ynyl]carbamate
CID 121231499
N-methyl-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-yn-1-amine
CID 170464790
6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine
CID 170465057
2-[2-fluoro-5-[4-(methylamino)but-1-ynyl]phenyl]acetic acid
CID 170464819

Frequently Asked Questions

What is the IUPAC name of [4-[4-(methylamino)but-1-ynyl]phenyl]methanol?
The IUPAC name of [4-[4-(methylamino)but-1-ynyl]phenyl]methanol (CID 170463909) is [4-[4-(methylamino)but-1-ynyl]phenyl]methanol.
What is the SMILES notation for [4-[4-(methylamino)but-1-ynyl]phenyl]methanol?
The canonical SMILES for [4-[4-(methylamino)but-1-ynyl]phenyl]methanol is CNCCC#Cc1ccc(CO)cc1.
What is the InChIKey of [4-[4-(methylamino)but-1-ynyl]phenyl]methanol?
The InChIKey is RJUSZCNXWBLHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-13-9-3-2-4-11-5-7-12(10-14)8-6-11/h5-8,13-14H,3,9-10H2,1H3.
What are the key properties of [4-[4-(methylamino)but-1-ynyl]phenyl]methanol?
[4-[4-(methylamino)but-1-ynyl]phenyl]methanol has a molecular weight of 189.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(methylamino)but-1-ynyl]phenyl]methanol is sourced from PubChem (CID 170463909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).