N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine

C12H20N2 — CID 59849275

IUPACN'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
SMILESCC(C)Cc1ccc(NCCN)cc1
InChIInChI=1S/C12H20N2/c1-10(2)9-11-3-5-12(6-4-11)14-8-7-13/h3-6,10,14H,7-9,13H2,1-2H3
InChIKeyLXDGOWLJZDWDFW-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.26
Rot. Bonds5

About N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine

N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine (PubChem CID 59849275) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
PubChem CID59849275
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
SMILESCC(C)Cc1ccc(NCCN)cc1
InChIInChI=1S/C12H20N2/c1-10(2)9-11-3-5-12(6-4-11)14-8-7-13/h3-6,10,14H,7-9,13H2,1-2H3
InChIKeyLXDGOWLJZDWDFW-UHFFFAOYSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methylpropyl)anilino]acetamide
CID 96671110
N-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline
CID 115256344
ethane;N'-phenylethane-1,2-diamine
CID 91048519
4-(2-aminoethylamino)phenol
CID 15538569
N-methyl-4-[4-(2-methylpropyl)phenyl]aniline
CID 116962445
N'-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 15686149
4-(aminomethyl)-N-(2-methylpropyl)aniline
CID 83962134
1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide
CID 115182510
4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline
CID 66675261
2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine
CID 115254758
N'-(4-phenylphenyl)ethane-1,2-diamine
CID 15319687
3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine
CID 170004129

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine (CID 59849275) is N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine is CC(C)Cc1ccc(NCCN)cc1.
What is the InChIKey of N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
The InChIKey is LXDGOWLJZDWDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10(2)9-11-3-5-12(6-4-11)14-8-7-13/h3-6,10,14H,7-9,13H2,1-2H3.
What are the key properties of N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 59849275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).