N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline

C16H18ClNO2 — CID 43734126

IUPACN-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
SMILESCOCCOc1ccc(NCc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO2/c1-19-10-11-20-15-8-6-14(7-9-15)18-12-13-4-2-3-5-16(13)17/h2-9,18H,10-12H2,1H3
InChIKeyFZXITYRWRVCBRU-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.98
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline

N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline (PubChem CID 43734126) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
PubChem CID43734126
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
SMILESCOCCOc1ccc(NCc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO2/c1-19-10-11-20-15-8-6-14(7-9-15)18-12-13-4-2-3-5-16(13)17/h2-9,18H,10-12H2,1H3
InChIKeyFZXITYRWRVCBRU-UHFFFAOYSA-N
XLogP3.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[(2-chlorophenyl)methyl]aniline
CID 54798799
N-[(3-chloro-2-fluorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 115695866
N-[(2-chlorophenyl)methyl]-4-(2-phenylethoxy)aniline
CID 54800221
N-[(4-bromo-2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 115652567
4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54799789
N-[(2-chlorophenyl)methyl]-N'-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808219
N-[(2-hexoxyphenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 54799770
2-bromo-6-[[4-(2-methoxyethoxy)anilino]methyl]phenol
CID 61391221
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717390
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
N-[(3-bromo-4-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 83232626
1-[4-[(2-chlorophenyl)methylamino]phenoxy]-3-(dimethylamino)propan-2-ol
CID 111336516

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline (CID 43734126) is N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline is COCCOc1ccc(NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline?
The InChIKey is FZXITYRWRVCBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-19-10-11-20-15-8-6-14(7-9-15)18-12-13-4-2-3-5-16(13)17/h2-9,18H,10-12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline?
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline has a molecular weight of 291.78 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline is sourced from PubChem (CID 43734126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).