2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline

C16H18ClNO — CID 65030382

IUPAC2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1ccccc1CNc1ccccc1C(C)Cl
InChIInChI=1S/C16H18ClNO/c1-12(17)14-8-4-5-9-15(14)18-11-13-7-3-6-10-16(13)19-2/h3-10,12,18H,11H2,1-2H3
InChIKeyMCVBEIVDUKEGMR-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.61
Rot. Bonds5

About 2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline

2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline (PubChem CID 65030382) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline
PubChem CID65030382
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1ccccc1CNc1ccccc1C(C)Cl
InChIInChI=1S/C16H18ClNO/c1-12(17)14-8-4-5-9-15(14)18-11-13-7-3-6-10-16(13)19-2/h3-10,12,18H,11H2,1-2H3
InChIKeyMCVBEIVDUKEGMR-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-chloroethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 65029811
N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline
CID 65030272
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
2-(1-chloroethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446525
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
N-[(2-ethylphenyl)methyl]-2-methoxyaniline
CID 62391032
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112860115
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
2-(1-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82895611
5-chloro-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39438809

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline?
The IUPAC name of 2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline (CID 65030382) is 2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline is COc1ccccc1CNc1ccccc1C(C)Cl.
What is the InChIKey of 2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline?
The InChIKey is MCVBEIVDUKEGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12(17)14-8-4-5-9-15(14)18-11-13-7-3-6-10-16(13)19-2/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline?
2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline has a molecular weight of 275.78 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 65030382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).