3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine

C22H26N2O — CID 58088528

IUPAC3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)c1c[nH]c2cccc(OCC3CC3)c12
InChIInChI=1S/C22H26N2O/c1-23-13-12-18(17-6-3-2-4-7-17)19-14-24-20-8-5-9-21(22(19)20)25-15-16-10-11-16/h2-9,14,16,18,23-24H,10-13,15H2,1H3
InChIKeyMUYDTHRBYIOYKD-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.70
Rot. Bonds8

About 3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine

3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine (PubChem CID 58088528) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine
PubChem CID58088528
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)c1c[nH]c2cccc(OCC3CC3)c12
InChIInChI=1S/C22H26N2O/c1-23-13-12-18(17-6-3-2-4-7-17)19-14-24-20-8-5-9-21(22(19)20)25-15-16-10-11-16/h2-9,14,16,18,23-24H,10-13,15H2,1H3
InChIKeyMUYDTHRBYIOYKD-UHFFFAOYSA-N
XLogP4.70
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine
CID 58088594
(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088531
1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine
CID 67268953
3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 58088517
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 46178745
3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088539
3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 58088510
N-methyl-3-(7-methyl-1H-indol-3-yl)-3-phenylpropan-1-amine
CID 58088625
N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 16725756
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxy-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 97266226

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine (CID 58088528) is 3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine is CNCCC(c1ccccc1)c1c[nH]c2cccc(OCC3CC3)c12.
What is the InChIKey of 3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine?
The InChIKey is MUYDTHRBYIOYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-23-13-12-18(17-6-3-2-4-7-17)19-14-24-20-8-5-9-21(22(19)20)25-15-16-10-11-16/h2-9,14,16,18,23-24H,10-13,15H2,1H3.
What are the key properties of 3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine?
3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine has a molecular weight of 334.46 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 58088528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).