1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

C18H25ClN2 — CID 11779840

IUPAC1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(CCC)C1CCc2ccc3[nH]cc(Cl)c3c2C1
InChIInChI=1S/C18H25ClN2/c1-3-9-21(10-4-2)14-7-5-13-6-8-17-18(15(13)11-14)16(19)12-20-17/h6,8,12,14,20H,3-5,7,9-11H2,1-2H3
InChIKeyAXWVKOPRBOVXMC-UHFFFAOYSA-N
MW304.87 g/mol
LogP4.80
Rot. Bonds5

About 1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (PubChem CID 11779840) has the molecular formula C18H25ClN2 and a molecular weight of 304.87 g/mol. Its IUPAC name is 1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.

Molecular Properties

Compound Name1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
PubChem CID11779840
Molecular FormulaC18H25ClN2
Molecular Weight304.87 g/mol
Exact Mass304.17
IUPAC Name1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(CCC)C1CCc2ccc3[nH]cc(Cl)c3c2C1
InChIInChI=1S/C18H25ClN2/c1-3-9-21(10-4-2)14-7-5-13-6-8-17-18(15(13)11-14)16(19)12-20-17/h6,8,12,14,20H,3-5,7,9-11H2,1-2H3
InChIKeyAXWVKOPRBOVXMC-UHFFFAOYSA-N
XLogP4.80
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.87
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The IUPAC name of 1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (CID 11779840) is 1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.
What is the SMILES notation for 1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The canonical SMILES for 1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is CCCN(CCC)C1CCc2ccc3[nH]cc(Cl)c3c2C1.
What is the InChIKey of 1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The InChIKey is AXWVKOPRBOVXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2/c1-3-9-21(10-4-2)14-7-5-13-6-8-17-18(15(13)11-14)16(19)12-20-17/h6,8,12,14,20H,3-5,7,9-11H2,1-2H3.
What are the key properties of 1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine has a molecular weight of 304.87 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is sourced from PubChem (CID 11779840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).