2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol

C16H18ClNO2 — CID 138519660

IUPAC2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol
SMILESCOc1ccc(N(CCO)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO2/c1-20-16-8-6-15(7-9-16)18(10-11-19)12-13-2-4-14(17)5-3-13/h2-9,19H,10-12H2,1H3
InChIKeyPHDUELDTCDLIEZ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.35
Rot. Bonds6

About 2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol

2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol (PubChem CID 138519660) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol.

Molecular Properties

Compound Name2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol
PubChem CID138519660
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol
SMILESCOc1ccc(N(CCO)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO2/c1-20-16-8-6-15(7-9-16)18(10-11-19)12-13-2-4-14(17)5-3-13/h2-9,19H,10-12H2,1H3
InChIKeyPHDUELDTCDLIEZ-UHFFFAOYSA-N
XLogP3.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
CID 24561175
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline
CID 154621165
carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
CID 71435780
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771400
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
CID 12031517
3-(4-chlorophenyl)-1,1-bis[(4-methoxyphenyl)methyl]thiourea
CID 4161356
4-[3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propoxy]benzoic acid
CID 14882883
4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline
CID 154621185
N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline
CID 138518679
N-hexyl-4-iodo-N-[(4-methoxyphenyl)methyl]aniline
CID 138518673

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol?
The IUPAC name of 2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol (CID 138519660) is 2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol.
What is the SMILES notation for 2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol?
The canonical SMILES for 2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol is COc1ccc(N(CCO)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol?
The InChIKey is PHDUELDTCDLIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-20-16-8-6-15(7-9-16)18(10-11-19)12-13-2-4-14(17)5-3-13/h2-9,19H,10-12H2,1H3.
What are the key properties of 2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol?
2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol has a molecular weight of 291.78 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol is sourced from PubChem (CID 138519660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).