N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine

C21H25N3O — CID 119110654

IUPACN-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
SMILESCOc1cccc(N2CCC(CNCc3cccc4[nH]ccc34)C2)c1
InChIInChI=1S/C21H25N3O/c1-25-19-6-3-5-18(12-19)24-11-9-16(15-24)13-22-14-17-4-2-7-21-20(17)8-10-23-21/h2-8,10,12,16,22-23H,9,11,13-15H2,1H3
InChIKeyBPHKLSUVFGZGJX-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.79
Rot. Bonds6

About N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine

N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 119110654) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
PubChem CID119110654
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
SMILESCOc1cccc(N2CCC(CNCc3cccc4[nH]ccc34)C2)c1
InChIInChI=1S/C21H25N3O/c1-25-19-6-3-5-18(12-19)24-11-9-16(15-24)13-22-14-17-4-2-7-21-20(17)8-10-23-21/h2-8,10,12,16,22-23H,9,11,13-15H2,1H3
InChIKeyBPHKLSUVFGZGJX-UHFFFAOYSA-N
XLogP3.79
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 119110013
N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 97000762
N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 63378381
1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 119108538
1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine
CID 97217638
2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol
CID 56823449
4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125391
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
CID 95296545
(3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol
CID 164629277
2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol
CID 111114815
1-(dicyclopropylmethyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300449
2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 95310394

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine (CID 119110654) is N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine is COc1cccc(N2CCC(CNCc3cccc4[nH]ccc34)C2)c1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is BPHKLSUVFGZGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-25-19-6-3-5-18(12-19)24-11-9-16(15-24)13-22-14-17-4-2-7-21-20(17)8-10-23-21/h2-8,10,12,16,22-23H,9,11,13-15H2,1H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine?
N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 335.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 119110654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).