(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride

C14H21ClN2 — CID 171241948

IUPAC(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
SMILESCl.Cn1cc([C@@H](N)C(C)(C)C)c2ccccc21
InChIInChI=1S/C14H20N2.ClH/c1-14(2,3)13(15)11-9-16(4)12-8-6-5-7-10(11)12;/h5-9,13H,15H2,1-4H3;1H/t13-;/m1./s1
InChIKeySIYVBKWRFHWFFB-BTQNPOSSSA-N
MW252.79 g/mol
LogP3.65
Rot. Bonds1

About (1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride

(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride (PubChem CID 171241948) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
PubChem CID171241948
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
SMILESCl.Cn1cc([C@@H](N)C(C)(C)C)c2ccccc21
InChIInChI=1S/C14H20N2.ClH/c1-14(2,3)13(15)11-9-16(4)12-8-6-5-7-10(11)12;/h5-9,13H,15H2,1-4H3;1H/t13-;/m1./s1
InChIKeySIYVBKWRFHWFFB-BTQNPOSSSA-N
XLogP3.65
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride
CID 171241945
2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
CID 116933418
(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171312426
(3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol
CID 171248669
(3S)-3-amino-2,2-difluoro-3-(1-methylindol-3-yl)propan-1-ol
CID 171248671
1-methyl-3-propan-2-ylindole
CID 10942942
methoxy-(1-methylindol-3-yl)methanamine
CID 116947283
3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole
CID 13205591
(1R)-1-(1-methylindol-3-yl)but-3-en-1-amine;hydrochloride
CID 171206886
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride (CID 171241948) is (1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride is Cl.Cn1cc([C@@H](N)C(C)(C)C)c2ccccc21.
What is the InChIKey of (1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride?
The InChIKey is SIYVBKWRFHWFFB-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H20N2.ClH/c1-14(2,3)13(15)11-9-16(4)12-8-6-5-7-10(11)12;/h5-9,13H,15H2,1-4H3;1H/t13-;/m1./s1.
What are the key properties of (1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride?
(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171241948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).