[3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol

C18H22ClNO — CID 118349182

IUPAC[3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol
SMILESCCCN(Cc1cccc(CO)c1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C18H22ClNO/c1-3-9-20(17-7-8-18(19)14(2)10-17)12-15-5-4-6-16(11-15)13-21/h4-8,10-11,21H,3,9,12-13H2,1-2H3
InChIKeyVJVBVORQHVVSIT-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.56
Rot. Bonds6

About [3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol

[3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol (PubChem CID 118349182) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is [3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol
PubChem CID118349182
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name[3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol
SMILESCCCN(Cc1cccc(CO)c1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C18H22ClNO/c1-3-9-20(17-7-8-18(19)14(2)10-17)12-15-5-4-6-16(11-15)13-21/h4-8,10-11,21H,3,9,12-13H2,1-2H3
InChIKeyVJVBVORQHVVSIT-UHFFFAOYSA-N
XLogP4.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol?
The IUPAC name of [3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol (CID 118349182) is [3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol is CCCN(Cc1cccc(CO)c1)c1ccc(Cl)c(C)c1.
What is the InChIKey of [3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol?
The InChIKey is VJVBVORQHVVSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-9-20(17-7-8-18(19)14(2)10-17)12-15-5-4-6-16(11-15)13-21/h4-8,10-11,21H,3,9,12-13H2,1-2H3.
What are the key properties of [3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol?
[3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol has a molecular weight of 303.83 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol is sourced from PubChem (CID 118349182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).