2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine

C12H19ClN2 — CID 65379401

IUPAC2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(CN)Nc1ccccc1Cl
InChIInChI=1S/C12H19ClN2/c1-3-9(2)12(8-14)15-11-7-5-4-6-10(11)13/h4-7,9,12,15H,3,8,14H2,1-2H3
InChIKeyNULZLYRIRSZBMP-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.13
Rot. Bonds5

About 2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine

2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine (PubChem CID 65379401) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine
PubChem CID65379401
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(CN)Nc1ccccc1Cl
InChIInChI=1S/C12H19ClN2/c1-3-9(2)12(8-14)15-11-7-5-4-6-10(11)13/h4-7,9,12,15H,3,8,14H2,1-2H3
InChIKeyNULZLYRIRSZBMP-UHFFFAOYSA-N
XLogP3.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2-chlorophenyl)-4-methoxy-3-methylbutane-1,2-diamine
CID 116501809
2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine
CID 65377307
2-N-(2-chlorophenyl)butane-1,2-diamine
CID 65377716
N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65377098
N-(1-bromo-3-chloro-2-methylpropyl)-2-chloroaniline
CID 70502899
2-chloro-N-(5-methylheptan-3-yl)aniline
CID 43095365
2-(2-chloroanilino)-4-methoxy-3-methylbutanamide
CID 116501929
2-chloro-N-hexan-3-ylaniline
CID 91251146
3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine
CID 65377551
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
2-chloro-N-(1-phenylpropyl)aniline
CID 43105652

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine (CID 65379401) is 2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine is CCC(C)C(CN)Nc1ccccc1Cl.
What is the InChIKey of 2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine?
The InChIKey is NULZLYRIRSZBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-3-9(2)12(8-14)15-11-7-5-4-6-10(11)13/h4-7,9,12,15H,3,8,14H2,1-2H3.
What are the key properties of 2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine?
2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine has a molecular weight of 226.75 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine is sourced from PubChem (CID 65379401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).