1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine

C15H21ClN2 — CID 107431860

IUPAC1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1c(CC)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H21ClN2/c1-4-12(17-6-3)15-11-9-10(16)7-8-14(11)18-13(15)5-2/h7-9,12,17-18H,4-6H2,1-3H3
InChIKeyVUKIBAVISCPCDO-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.44
Rot. Bonds5

About 1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine

1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine (PubChem CID 107431860) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine
PubChem CID107431860
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1c(CC)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H21ClN2/c1-4-12(17-6-3)15-11-9-10(16)7-8-14(11)18-13(15)5-2/h7-9,12,17-18H,4-6H2,1-3H3
InChIKeyVUKIBAVISCPCDO-UHFFFAOYSA-N
XLogP4.44
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.44
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

1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114886330
1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine
CID 107991741
2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide
CID 162663759
5-chloro-N,3-diethyl-1H-indole-2-sulfonamide
CID 123539160
2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]butanoic acid
CID 174457777
5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 177401984
1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine
CID 115995719
1-(9H-carbazol-3-yl)-N-ethyl-3-methylbutan-1-amine
CID 43490923
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398591
1-(9H-carbazol-3-yl)-N-ethylbutan-1-amine
CID 43490918
1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine
CID 114027172
2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione
CID 14178328

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine (CID 107431860) is 1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine is CCNC(CC)c1c(CC)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine?
The InChIKey is VUKIBAVISCPCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-4-12(17-6-3)15-11-9-10(16)7-8-14(11)18-13(15)5-2/h7-9,12,17-18H,4-6H2,1-3H3.
What are the key properties of 1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine?
1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine has a molecular weight of 264.80 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 107431860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).