2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol

C15H16ClNO — CID 132570110

IUPAC2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol
SMILESCNc1ccc(Cc2cc(C)ccc2O)cc1Cl
InChIInChI=1S/C15H16ClNO/c1-10-3-6-15(18)12(7-10)8-11-4-5-14(17-2)13(16)9-11/h3-7,9,17-18H,8H2,1-2H3
InChIKeyDBZHNXDNLJJPBJ-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.99
Rot. Bonds3

About 2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol

2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol (PubChem CID 132570110) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol
PubChem CID132570110
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol
SMILESCNc1ccc(Cc2cc(C)ccc2O)cc1Cl
InChIInChI=1S/C15H16ClNO/c1-10-3-6-15(18)12(7-10)8-11-4-5-14(17-2)13(16)9-11/h3-7,9,17-18H,8H2,1-2H3
InChIKeyDBZHNXDNLJJPBJ-UHFFFAOYSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-hydroxy-4-methylphenyl)methyl]-4-methylphenol
CID 143552541
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
4-methyl-2-[(3,4,5-trimethylphenyl)methyl]phenol
CID 90160310
2-chloro-N,4-dimethylaniline;formaldehyde
CID 177231502
2-[[3-[2-[3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]propan-2-yl]-5-[(2-hydroxy-5-methylphenyl)methyl]phenyl]methyl]-4-methylphenol
CID 155168714
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
N-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine
CID 18683443
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 150105326
2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol
CID 132570116
2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol
CID 63323116
2-(aminomethyl)-N,4-dimethylaniline
CID 82502533

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol?
The IUPAC name of 2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol (CID 132570110) is 2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol?
The canonical SMILES for 2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol is CNc1ccc(Cc2cc(C)ccc2O)cc1Cl.
What is the InChIKey of 2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol?
The InChIKey is DBZHNXDNLJJPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-3-6-15(18)12(7-10)8-11-4-5-14(17-2)13(16)9-11/h3-7,9,17-18H,8H2,1-2H3.
What are the key properties of 2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol?
2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol has a molecular weight of 261.75 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol is sourced from PubChem (CID 132570110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).