2-[(2-methylidenebutylamino)methyl]phenol

C12H17NO — CID 114331940

IUPAC2-[(2-methylidenebutylamino)methyl]phenol
SMILESC=C(CC)CNCc1ccccc1O
InChIInChI=1S/C12H17NO/c1-3-10(2)8-13-9-11-6-4-5-7-12(11)14/h4-7,13-14H,2-3,8-9H2,1H3
InChIKeyNVOJNNJAANRFNU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.45
Rot. Bonds5

About 2-[(2-methylidenebutylamino)methyl]phenol

2-[(2-methylidenebutylamino)methyl]phenol (PubChem CID 114331940) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(2-methylidenebutylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(2-methylidenebutylamino)methyl]phenol
PubChem CID114331940
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(2-methylidenebutylamino)methyl]phenol
SMILESC=C(CC)CNCc1ccccc1O
InChIInChI=1S/C12H17NO/c1-3-10(2)8-13-9-11-6-4-5-7-12(11)14/h4-7,13-14H,2-3,8-9H2,1H3
InChIKeyNVOJNNJAANRFNU-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-2-methylidenebutan-1-amine
CID 66045694
2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine
CID 66045234
2-methylidene-N-[(2-nitrophenyl)methyl]butan-1-amine
CID 66043777
2-(ethylaminomethyl)phenol
CID 12995218
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868
N-[2-(2-fluorophenyl)ethyl]-2-methylidenebutan-1-amine
CID 66047104
[4-[(2-methylidenebutylamino)methyl]phenyl]methanol
CID 107230812
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylidenebutan-1-amine
CID 66047118
2-[2-(2-methylidenebutylamino)ethyl]benzoic acid
CID 104546820
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
2-[[2-[2-[(2-hydroxyphenyl)methylamino]ethyldisulfanyl]ethylamino]methyl]phenol
CID 15574744
2-methylidene-N-(2-phenylpropyl)butan-1-amine
CID 104591378

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylidenebutylamino)methyl]phenol?
The IUPAC name of 2-[(2-methylidenebutylamino)methyl]phenol (CID 114331940) is 2-[(2-methylidenebutylamino)methyl]phenol.
What is the SMILES notation for 2-[(2-methylidenebutylamino)methyl]phenol?
The canonical SMILES for 2-[(2-methylidenebutylamino)methyl]phenol is C=C(CC)CNCc1ccccc1O.
What is the InChIKey of 2-[(2-methylidenebutylamino)methyl]phenol?
The InChIKey is NVOJNNJAANRFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-10(2)8-13-9-11-6-4-5-7-12(11)14/h4-7,13-14H,2-3,8-9H2,1H3.
What are the key properties of 2-[(2-methylidenebutylamino)methyl]phenol?
2-[(2-methylidenebutylamino)methyl]phenol has a molecular weight of 191.27 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylidenebutylamino)methyl]phenol is sourced from PubChem (CID 114331940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).