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

C12H20N2 — CID 130804056

IUPAC(1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine
SMILESCC(C)c1cccc([C@H](N)[C@H](C)N)c1
InChIInChI=1S/C12H20N2/c1-8(2)10-5-4-6-11(7-10)12(14)9(3)13/h4-9,12H,13-14H2,1-3H3/t9-,12+/m0/s1
InChIKeyHXWCOBRNCPRZDR-JOYOIKCWSA-N
MW192.31 g/mol
LogP2.16
Rot. Bonds3

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

(1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine (PubChem CID 130804056) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine
PubChem CID130804056
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine
SMILESCC(C)c1cccc([C@H](N)[C@H](C)N)c1
InChIInChI=1S/C12H20N2/c1-8(2)10-5-4-6-11(7-10)12(14)9(3)13/h4-9,12H,13-14H2,1-3H3/t9-,12+/m0/s1
InChIKeyHXWCOBRNCPRZDR-JOYOIKCWSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
3-[(1S,2S)-1,2-diaminopropyl]phenol
CID 130820529
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
(3S)-3-amino-3-(3-propan-2-ylphenyl)propan-1-ol;hydrochloride
CID 171231623
(1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine
CID 71074498
2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol
CID 22486943
1,3-di(propan-2-yl)benzene;sulfuryl dichloride
CID 174899363
(1R)-2-methoxy-1-(3-propan-2-ylphenyl)ethanamine
CID 55295618
(1S)-1-(3-propan-2-ylphenyl)butane-1,4-diamine
CID 171231579
(4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine
CID 138032113
(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine
CID 171211984
methyl 2-amino-2-(3-propan-2-ylphenyl)acetate
CID 20824071

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine?
The IUPAC name of (1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine (CID 130804056) is (1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine.
What is the SMILES notation for (1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine?
The canonical SMILES for (1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine is CC(C)c1cccc([C@H](N)[C@H](C)N)c1.
What is the InChIKey of (1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine?
The InChIKey is HXWCOBRNCPRZDR-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H20N2/c1-8(2)10-5-4-6-11(7-10)12(14)9(3)13/h4-9,12H,13-14H2,1-3H3/t9-,12+/m0/s1.
What are the key properties of (1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine?
(1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine is sourced from PubChem (CID 130804056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).