1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine

C12H20N2 — CID 69374582

IUPAC1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(C(C)(C)N)c1
InChIInChI=1S/C12H20N2/c1-9(13)7-10-5-4-6-11(8-10)12(2,3)14/h4-6,8-9H,7,13-14H2,1-3H3
InChIKeyFBHDJBWLOCGULB-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.77
Rot. Bonds3

About 1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine

1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine (PubChem CID 69374582) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine
PubChem CID69374582
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(C(C)(C)N)c1
InChIInChI=1S/C12H20N2/c1-9(13)7-10-5-4-6-11(8-10)12(2,3)14/h4-6,8-9H,7,13-14H2,1-3H3
InChIKeyFBHDJBWLOCGULB-UHFFFAOYSA-N
XLogP1.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine
CID 117111249
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
CID 84727054
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine
CID 116542994
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
3-(3-tert-butylphenyl)-2-methylpropan-1-ol
CID 53466403
1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542792
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine (CID 69374582) is 1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine is CC(N)Cc1cccc(C(C)(C)N)c1.
What is the InChIKey of 1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine?
The InChIKey is FBHDJBWLOCGULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(13)7-10-5-4-6-11(8-10)12(2,3)14/h4-6,8-9H,7,13-14H2,1-3H3.
What are the key properties of 1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine?
1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine has a molecular weight of 192.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine is sourced from PubChem (CID 69374582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).