N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine

C20H24N2O — CID 119110075

IUPACN-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cccc(C(C)NCc2cccc3[nH]ccc23)c1
InChIInChI=1S/C20H24N2O/c1-14(2)23-18-8-4-6-16(12-18)15(3)22-13-17-7-5-9-20-19(17)10-11-21-20/h4-12,14-15,21-22H,13H2,1-3H3
InChIKeyLTOVRCROLTVHQW-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.81
Rot. Bonds6

About N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine

N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine (PubChem CID 119110075) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
PubChem CID119110075
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cccc(C(C)NCc2cccc3[nH]ccc23)c1
InChIInChI=1S/C20H24N2O/c1-14(2)23-18-8-4-6-16(12-18)15(3)22-13-17-7-5-9-20-19(17)10-11-21-20/h4-12,14-15,21-22H,13H2,1-3H3
InChIKeyLTOVRCROLTVHQW-UHFFFAOYSA-N
XLogP4.81
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81353840
2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol
CID 43694661
(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81367023
1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 119125336
N-(1H-indol-4-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 63001401
(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81373106
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036
2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol
CID 111114815
1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 60664434
N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
CID 63001738
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 112831409

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine (CID 119110075) is N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1cccc(C(C)NCc2cccc3[nH]ccc23)c1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The InChIKey is LTOVRCROLTVHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14(2)23-18-8-4-6-16(12-18)15(3)22-13-17-7-5-9-20-19(17)10-11-21-20/h4-12,14-15,21-22H,13H2,1-3H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine has a molecular weight of 308.43 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 119110075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).