N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine

C11H17ClN2 — CID 130604516

IUPACN'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine
SMILESCc1ccc(Cl)c(NCC(C)CN)c1
InChIInChI=1S/C11H17ClN2/c1-8-3-4-10(12)11(5-8)14-7-9(2)6-13/h3-5,9,14H,6-7,13H2,1-2H3
InChIKeyBSKSXGGYXJTEEG-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.66
Rot. Bonds4

About N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine

N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine (PubChem CID 130604516) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine
PubChem CID130604516
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine
SMILESCc1ccc(Cl)c(NCC(C)CN)c1
InChIInChI=1S/C11H17ClN2/c1-8-3-4-10(12)11(5-8)14-7-9(2)6-13/h3-5,9,14H,6-7,13H2,1-2H3
InChIKeyBSKSXGGYXJTEEG-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2-chloro-5-methylanilino)propan-2-ol
CID 107634835
2-chloro-N-(2,2-dimethoxyethyl)-5-methylaniline
CID 107630559
1-(2-chloro-5-methylanilino)butan-2-ol
CID 107634619
N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine
CID 130604425
2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 103768047
N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine
CID 130604497
2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 107634665
N-benzyl-2-chloro-5-methylaniline
CID 83290853
2-(2-chloro-5-methylanilino)acetic acid
CID 103691548
2-chloro-N-(3-methoxy-2-methylpropyl)-4-methylaniline
CID 116500841
ethyl 2-(2-chloro-5-methylanilino)acetate
CID 103768009
N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline
CID 107634618

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine (CID 130604516) is N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine is Cc1ccc(Cl)c(NCC(C)CN)c1.
What is the InChIKey of N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine?
The InChIKey is BSKSXGGYXJTEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-8-3-4-10(12)11(5-8)14-7-9(2)6-13/h3-5,9,14H,6-7,13H2,1-2H3.
What are the key properties of N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine?
N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine has a molecular weight of 212.72 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 130604516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).