2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline

C16H18ClNO — CID 43106627

IUPAC2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
SMILESCOc1ccc(C)cc1C(C)Nc1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-11-8-9-16(19-3)13(10-11)12(2)18-15-7-5-4-6-14(15)17/h4-10,12,18H,1-3H3
InChIKeyVHASOONZDKHHRY-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.83
Rot. Bonds4

About 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline

2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline (PubChem CID 43106627) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
PubChem CID43106627
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
SMILESCOc1ccc(C)cc1C(C)Nc1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-11-8-9-16(19-3)13(10-11)12(2)18-15-7-5-4-6-14(15)17/h4-10,12,18H,1-3H3
InChIKeyVHASOONZDKHHRY-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81374122
5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43438309
2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772205
2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 61075545
2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194738
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 63455888
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline
CID 43766137
2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43107869
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline (CID 43106627) is 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline is COc1ccc(C)cc1C(C)Nc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
The InChIKey is VHASOONZDKHHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-8-9-16(19-3)13(10-11)12(2)18-15-7-5-4-6-14(15)17/h4-10,12,18H,1-3H3.
What are the key properties of 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline has a molecular weight of 275.78 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline is sourced from PubChem (CID 43106627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).