[4-[(2-methylidenebutylamino)methyl]phenyl]methanol

C13H19NO — CID 107230812

IUPAC[4-[(2-methylidenebutylamino)methyl]phenyl]methanol
SMILESC=C(CC)CNCc1ccc(CO)cc1
InChIInChI=1S/C13H19NO/c1-3-11(2)8-14-9-12-4-6-13(10-15)7-5-12/h4-7,14-15H,2-3,8-10H2,1H3
InChIKeyUUKDXDLFRCTNIJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.23
Rot. Bonds6

About [4-[(2-methylidenebutylamino)methyl]phenyl]methanol

[4-[(2-methylidenebutylamino)methyl]phenyl]methanol (PubChem CID 107230812) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [4-[(2-methylidenebutylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-methylidenebutylamino)methyl]phenyl]methanol
PubChem CID107230812
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[4-[(2-methylidenebutylamino)methyl]phenyl]methanol
SMILESC=C(CC)CNCc1ccc(CO)cc1
InChIInChI=1S/C13H19NO/c1-3-11(2)8-14-9-12-4-6-13(10-15)7-5-12/h4-7,14-15H,2-3,8-10H2,1H3
InChIKeyUUKDXDLFRCTNIJ-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylidenebutylamino)methyl]phenyl]methanol?
The IUPAC name of [4-[(2-methylidenebutylamino)methyl]phenyl]methanol (CID 107230812) is [4-[(2-methylidenebutylamino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(2-methylidenebutylamino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(2-methylidenebutylamino)methyl]phenyl]methanol is C=C(CC)CNCc1ccc(CO)cc1.
What is the InChIKey of [4-[(2-methylidenebutylamino)methyl]phenyl]methanol?
The InChIKey is UUKDXDLFRCTNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-11(2)8-14-9-12-4-6-13(10-15)7-5-12/h4-7,14-15H,2-3,8-10H2,1H3.
What are the key properties of [4-[(2-methylidenebutylamino)methyl]phenyl]methanol?
[4-[(2-methylidenebutylamino)methyl]phenyl]methanol has a molecular weight of 205.30 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylidenebutylamino)methyl]phenyl]methanol is sourced from PubChem (CID 107230812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).