4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol

C14H17NO — CID 145373751

IUPAC4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol
SMILESCC1=C(CNc2ccc(O)cc2)C=CCC1
InChIInChI=1S/C14H17NO/c1-11-4-2-3-5-12(11)10-15-13-6-8-14(16)9-7-13/h3,5-9,15-16H,2,4,10H2,1H3
InChIKeyNGORFERHWBPGOB-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.47
Rot. Bonds3

About 4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol

4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol (PubChem CID 145373751) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol.

Molecular Properties

Compound Name4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol
PubChem CID145373751
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol
SMILESCC1=C(CNc2ccc(O)cc2)C=CCC1
InChIInChI=1S/C14H17NO/c1-11-4-2-3-5-12(11)10-15-13-6-8-14(16)9-7-13/h3,5-9,15-16H,2,4,10H2,1H3
InChIKeyNGORFERHWBPGOB-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol?
The IUPAC name of 4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol (CID 145373751) is 4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol.
What is the SMILES notation for 4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol?
The canonical SMILES for 4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol is CC1=C(CNc2ccc(O)cc2)C=CCC1.
What is the InChIKey of 4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol?
The InChIKey is NGORFERHWBPGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-4-2-3-5-12(11)10-15-13-6-8-14(16)9-7-13/h3,5-9,15-16H,2,4,10H2,1H3.
What are the key properties of 4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol?
4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol has a molecular weight of 215.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol is sourced from PubChem (CID 145373751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).