2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol

C14H14ClNO — CID 134812594

IUPAC2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2ccc(CN)cc2Cl)c1
InChIInChI=1S/C14H14ClNO/c1-9-2-5-14(17)12(6-9)11-4-3-10(8-16)7-13(11)15/h2-7,17H,8,16H2,1H3
InChIKeyNVQGRPSPOJZMIF-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.48
Rot. Bonds2

About 2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol

2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol (PubChem CID 134812594) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol
PubChem CID134812594
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2ccc(CN)cc2Cl)c1
InChIInChI=1S/C14H14ClNO/c1-9-2-5-14(17)12(6-9)11-4-3-10(8-16)7-13(11)15/h2-7,17H,8,16H2,1H3
InChIKeyNVQGRPSPOJZMIF-UHFFFAOYSA-N
XLogP3.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol?
The IUPAC name of 2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol (CID 134812594) is 2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol.
What is the SMILES notation for 2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol?
The canonical SMILES for 2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol is Cc1ccc(O)c(-c2ccc(CN)cc2Cl)c1.
What is the InChIKey of 2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol?
The InChIKey is NVQGRPSPOJZMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-9-2-5-14(17)12(6-9)11-4-3-10(8-16)7-13(11)15/h2-7,17H,8,16H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol?
2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol has a molecular weight of 247.72 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-chlorophenyl]-4-methylphenol is sourced from PubChem (CID 134812594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).