2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline

C16H19ClN2 — CID 65485068

IUPAC2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline
SMILESCN(CCc1ccccc1)Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H19ClN2/c1-19(10-9-13-5-3-2-4-6-13)12-14-7-8-15(17)16(18)11-14/h2-8,11H,9-10,12,18H2,1H3
InChIKeySOFRPVRHJXRWAE-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.60
Rot. Bonds5

About 2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline

2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline (PubChem CID 65485068) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline
PubChem CID65485068
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline
SMILESCN(CCc1ccccc1)Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H19ClN2/c1-19(10-9-13-5-3-2-4-6-13)12-14-7-8-15(17)16(18)11-14/h2-8,11H,9-10,12,18H2,1H3
InChIKeySOFRPVRHJXRWAE-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 43587699
2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 79476185
2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43564662
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine
CID 82183785
2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526580
2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 61420544
5-benzyl-2-chloroaniline
CID 39243776
4-[2-[benzyl(methyl)amino]ethyl]-5-chloro-2-methoxyaniline
CID 89431983
3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486667
4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol
CID 142099011
2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 62979816

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline?
The IUPAC name of 2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline (CID 65485068) is 2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline.
What is the SMILES notation for 2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline?
The canonical SMILES for 2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline is CN(CCc1ccccc1)Cc1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline?
The InChIKey is SOFRPVRHJXRWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-19(10-9-13-5-3-2-4-6-13)12-14-7-8-15(17)16(18)11-14/h2-8,11H,9-10,12,18H2,1H3.
What are the key properties of 2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline?
2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline has a molecular weight of 274.80 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline is sourced from PubChem (CID 65485068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).