(1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine

C12H21N3 — CID 66517167

IUPAC(1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine
SMILESCc1ccc([C@@H](N)CN)c(NC(C)C)c1
InChIInChI=1S/C12H21N3/c1-8(2)15-12-6-9(3)4-5-10(12)11(14)7-13/h4-6,8,11,15H,7,13-14H2,1-3H3/t11-/m0/s1
InChIKeyHLODPLMMYSXCFM-NSHDSACASA-N
MW207.32 g/mol
LogP1.77
Rot. Bonds4

About (1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine

(1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine (PubChem CID 66517167) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine
PubChem CID66517167
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine
SMILESCc1ccc([C@@H](N)CN)c(NC(C)C)c1
InChIInChI=1S/C12H21N3/c1-8(2)15-12-6-9(3)4-5-10(12)11(14)7-13/h4-6,8,11,15H,7,13-14H2,1-3H3/t11-/m0/s1
InChIKeyHLODPLMMYSXCFM-NSHDSACASA-N
XLogP1.77
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine?
The IUPAC name of (1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine (CID 66517167) is (1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine?
The canonical SMILES for (1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine is Cc1ccc([C@@H](N)CN)c(NC(C)C)c1.
What is the InChIKey of (1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine?
The InChIKey is HLODPLMMYSXCFM-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3/c1-8(2)15-12-6-9(3)4-5-10(12)11(14)7-13/h4-6,8,11,15H,7,13-14H2,1-3H3/t11-/m0/s1.
What are the key properties of (1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine?
(1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 66517167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).