(3-chloro-1-propylindol-4-yl)azanium chloride

C11H14Cl2N2 — CID 138543966

IUPAC(3-chloro-1-propylindol-4-yl)azanium chloride
SMILESCCCn1cc(Cl)c2c([NH3+])cccc21.[Cl-]
InChIInChI=1S/C11H13ClN2.ClH/c1-2-6-14-7-8(12)11-9(13)4-3-5-10(11)14;/h3-5,7H,2,6,13H2,1H3;1H
InChIKeyDDIDAUWARDPDFI-UHFFFAOYSA-N
MW245.15 g/mol
LogP-0.42
Rot. Bonds2

About (3-chloro-1-propylindol-4-yl)azanium chloride

(3-chloro-1-propylindol-4-yl)azanium chloride (PubChem CID 138543966) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is (3-chloro-1-propylindol-4-yl)azanium chloride.

Molecular Properties

Compound Name(3-chloro-1-propylindol-4-yl)azanium chloride
PubChem CID138543966
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name(3-chloro-1-propylindol-4-yl)azanium chloride
SMILESCCCn1cc(Cl)c2c([NH3+])cccc21.[Cl-]
InChIInChI=1S/C11H13ClN2.ClH/c1-2-6-14-7-8(12)11-9(13)4-3-5-10(11)14;/h3-5,7H,2,6,13H2,1H3;1H
InChIKeyDDIDAUWARDPDFI-UHFFFAOYSA-N
XLogP-0.42
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-butyl-3-chloroindol-4-yl)azanium
CID 154616295
(3-chloro-1-methylindol-4-yl)azanium
CID 154616293
3-chloro-1-(2-methoxyethyl)-4-methylindole
CID 158655918
4-methoxy-1-propylindole-3-sulfonyl chloride
CID 83162428
(4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 71461422
3-(1-hydroxyethyl)-1-propylindole-4-carboxylic acid
CID 83945682
(2-chloro-3-pyridinyl)-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone
CID 53140169
4-chloro-1-ethylindole-3-carbaldehyde
CID 117119713
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154
3-tert-butyl-1-propylindole
CID 137421343
O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine
CID 117322623
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-propylindol-4-yl)azanium chloride?
The IUPAC name of (3-chloro-1-propylindol-4-yl)azanium chloride (CID 138543966) is (3-chloro-1-propylindol-4-yl)azanium chloride.
What is the SMILES notation for (3-chloro-1-propylindol-4-yl)azanium chloride?
The canonical SMILES for (3-chloro-1-propylindol-4-yl)azanium chloride is CCCn1cc(Cl)c2c([NH3+])cccc21.[Cl-].
What is the InChIKey of (3-chloro-1-propylindol-4-yl)azanium chloride?
The InChIKey is DDIDAUWARDPDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2.ClH/c1-2-6-14-7-8(12)11-9(13)4-3-5-10(11)14;/h3-5,7H,2,6,13H2,1H3;1H.
What are the key properties of (3-chloro-1-propylindol-4-yl)azanium chloride?
(3-chloro-1-propylindol-4-yl)azanium chloride has a molecular weight of 245.15 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-propylindol-4-yl)azanium chloride is sourced from PubChem (CID 138543966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).