N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine

C25H29FN2O2 — CID 11350339

IUPACN-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2
InChIInChI=1S/C25H29FN2O2/c1-29-24-5-2-6-25-22(24)13-20(16-30-25)28(15-17-7-8-17)11-3-4-18-14-27-23-10-9-19(26)12-21(18)23/h2,5-6,9-10,12,14,17,20,27H,3-4,7-8,11,13,15-16H2,1H3
InChIKeyBKJSIAOCAXHNFA-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.96
Rot. Bonds8

About N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine

N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine (PubChem CID 11350339) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
PubChem CID11350339
Molecular FormulaC25H29FN2O2
Molecular Weight408.52 g/mol
Exact Mass408.22
IUPAC NameN-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2
InChIInChI=1S/C25H29FN2O2/c1-29-24-5-2-6-25-22(24)13-20(16-30-25)28(15-17-7-8-17)11-3-4-18-14-27-23-10-9-19(26)12-21(18)23/h2,5-6,9-10,12,14,17,20,27H,3-4,7-8,11,13,15-16H2,1H3
InChIKeyBKJSIAOCAXHNFA-UHFFFAOYSA-N
XLogP4.96
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine (CID 11350339) is N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine is COc1cccc2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2.
What is the InChIKey of N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is BKJSIAOCAXHNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2/c1-29-24-5-2-6-25-22(24)13-20(16-30-25)28(15-17-7-8-17)11-3-4-18-14-27-23-10-9-19(26)12-21(18)23/h2,5-6,9-10,12,14,17,20,27H,3-4,7-8,11,13,15-16H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 408.52 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 11350339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).