N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline

C17H20ClNO — CID 154621165

IUPACN-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline
SMILESCOc1ccc(N(Cc2ccc(Cl)cc2)C(C)C)cc1
InChIInChI=1S/C17H20ClNO/c1-13(2)19(12-14-4-6-15(18)7-5-14)16-8-10-17(20-3)11-9-16/h4-11,13H,12H2,1-3H3
InChIKeySCDWYLMCLXPAPV-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.76
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline

N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline (PubChem CID 154621165) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline
PubChem CID154621165
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline
SMILESCOc1ccc(N(Cc2ccc(Cl)cc2)C(C)C)cc1
InChIInChI=1S/C17H20ClNO/c1-13(2)19(12-14-4-6-15(18)7-5-14)16-8-10-17(20-3)11-9-16/h4-11,13H,12H2,1-3H3
InChIKeySCDWYLMCLXPAPV-UHFFFAOYSA-N
XLogP4.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 162612064
4-methoxy-N-[(4-nitrophenyl)methyl]-N-propan-2-ylaniline
CID 154621314
N-butan-2-yl-4-iodo-N-[(4-methoxyphenyl)methyl]aniline
CID 154621202
2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol
CID 138519660
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
CID 24561175
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420601
(4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium
CID 2245111
4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline
CID 154621296
N-[(4-fluorophenyl)methyl]-4-methoxy-3-[2-[4-methoxy-3-[2-[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]propyl]-N-[(4-methylsulfanylphenyl)methyl]anilino]propyl]-N-propan-2-ylaniline
CID 155056876

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline (CID 154621165) is N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline is COc1ccc(N(Cc2ccc(Cl)cc2)C(C)C)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline?
The InChIKey is SCDWYLMCLXPAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13(2)19(12-14-4-6-15(18)7-5-14)16-8-10-17(20-3)11-9-16/h4-11,13H,12H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline?
N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline has a molecular weight of 289.81 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline is sourced from PubChem (CID 154621165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).