2-N-(3-propan-2-ylphenyl)propane-1,2-diamine

C12H20N2 — CID 103387503

IUPAC2-N-(3-propan-2-ylphenyl)propane-1,2-diamine
SMILESCC(CN)Nc1cccc(C(C)C)c1
InChIInChI=1S/C12H20N2/c1-9(2)11-5-4-6-12(7-11)14-10(3)8-13/h4-7,9-10,14H,8,13H2,1-3H3
InChIKeyPJQRMHARGRTPBP-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.57
Rot. Bonds4

About 2-N-(3-propan-2-ylphenyl)propane-1,2-diamine

2-N-(3-propan-2-ylphenyl)propane-1,2-diamine (PubChem CID 103387503) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-N-(3-propan-2-ylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-propan-2-ylphenyl)propane-1,2-diamine
PubChem CID103387503
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-N-(3-propan-2-ylphenyl)propane-1,2-diamine
SMILESCC(CN)Nc1cccc(C(C)C)c1
InChIInChI=1S/C12H20N2/c1-9(2)11-5-4-6-12(7-11)14-10(3)8-13/h4-7,9-10,14H,8,13H2,1-3H3
InChIKeyPJQRMHARGRTPBP-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexan-2-yl-3-propan-2-ylaniline
CID 43768976
2-N-(4-propan-2-ylphenyl)propane-1,2-diamine
CID 103387154
3-(1-aminopropan-2-ylamino)benzonitrile
CID 82503421
2-N-(3-ethynylphenyl)propane-1,2-diamine
CID 82503374
methyl 3-[[(2S)-1-aminopropan-2-yl]amino]benzoate
CID 178109446
4-[2-(3-propan-2-ylanilino)propyl]phenol
CID 115493965
2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile
CID 130704957
2-(3-propan-2-ylanilino)butanamide
CID 62900215
N-(5-methylheptan-3-yl)-3-propan-2-ylaniline
CID 43097145
N-heptan-3-yl-3-propan-2-ylaniline
CID 63946892
(2R)-2-phenyl-2-(3-propan-2-ylanilino)acetamide
CID 33474317
N-(1-cyclopropylpropyl)-3-propan-2-ylaniline
CID 64918380

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-propan-2-ylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-(3-propan-2-ylphenyl)propane-1,2-diamine (CID 103387503) is 2-N-(3-propan-2-ylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(3-propan-2-ylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(3-propan-2-ylphenyl)propane-1,2-diamine is CC(CN)Nc1cccc(C(C)C)c1.
What is the InChIKey of 2-N-(3-propan-2-ylphenyl)propane-1,2-diamine?
The InChIKey is PJQRMHARGRTPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)11-5-4-6-12(7-11)14-10(3)8-13/h4-7,9-10,14H,8,13H2,1-3H3.
What are the key properties of 2-N-(3-propan-2-ylphenyl)propane-1,2-diamine?
2-N-(3-propan-2-ylphenyl)propane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-propan-2-ylphenyl)propane-1,2-diamine is sourced from PubChem (CID 103387503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).