(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride

C12H14ClF3N2 — CID 171206848

IUPAC(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
SMILESCc1[nH]c2ccccc2c1[C@H](N)CC(F)(F)F.Cl
InChIInChI=1S/C12H13F3N2.ClH/c1-7-11(9(16)6-12(13,14)15)8-4-2-3-5-10(8)17-7;/h2-5,9,17H,6,16H2,1H3;1H/t9-;/m1./s1
InChIKeyNHZDQUUYJHELIC-SBSPUUFOSA-N
MW278.70 g/mol
LogP3.85
Rot. Bonds2

About (1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride

(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride (PubChem CID 171206848) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.70 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
PubChem CID171206848
Molecular FormulaC12H14ClF3N2
Molecular Weight278.70 g/mol
Exact Mass278.08
IUPAC Name(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
SMILESCc1[nH]c2ccccc2c1[C@H](N)CC(F)(F)F.Cl
InChIInChI=1S/C12H13F3N2.ClH/c1-7-11(9(16)6-12(13,14)15)8-4-2-3-5-10(8)17-7;/h2-5,9,17H,6,16H2,1H3;1H/t9-;/m1./s1
InChIKeyNHZDQUUYJHELIC-SBSPUUFOSA-N
XLogP3.85
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 95447779
4-amino-2,2-dimethyl-4-(2-methyl-1H-indol-3-yl)butanoic acid
CID 116938506
(1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171312424
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 116934901
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165
(1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine
CID 171206860
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride (CID 171206848) is (1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride is Cc1[nH]c2ccccc2c1[C@H](N)CC(F)(F)F.Cl.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride?
The InChIKey is NHZDQUUYJHELIC-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H13F3N2.ClH/c1-7-11(9(16)6-12(13,14)15)8-4-2-3-5-10(8)17-7;/h2-5,9,17H,6,16H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride?
(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride has a molecular weight of 278.70 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171206848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).