3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline

C15H23ClN2 — CID 63866426

IUPAC3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCCNCc1c(Cl)cccc1N(C)CC1CC1C
InChIInChI=1S/C15H23ClN2/c1-4-17-9-13-14(16)6-5-7-15(13)18(3)10-12-8-11(12)2/h5-7,11-12,17H,4,8-10H2,1-3H3
InChIKeyYVCXYJRLUSIBNV-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.54
Rot. Bonds6

About 3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline

3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline (PubChem CID 63866426) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
PubChem CID63866426
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCCNCc1c(Cl)cccc1N(C)CC1CC1C
InChIInChI=1S/C15H23ClN2/c1-4-17-9-13-14(16)6-5-7-15(13)18(3)10-12-8-11(12)2/h5-7,11-12,17H,4,8-10H2,1-3H3
InChIKeyYVCXYJRLUSIBNV-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
The IUPAC name of 3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline (CID 63866426) is 3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline.
What is the SMILES notation for 3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
The canonical SMILES for 3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline is CCNCc1c(Cl)cccc1N(C)CC1CC1C.
What is the InChIKey of 3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
The InChIKey is YVCXYJRLUSIBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-4-17-9-13-14(16)6-5-7-15(13)18(3)10-12-8-11(12)2/h5-7,11-12,17H,4,8-10H2,1-3H3.
What are the key properties of 3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline has a molecular weight of 266.82 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline is sourced from PubChem (CID 63866426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).