3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine

C18H22N2O — CID 130246784

IUPAC3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine
SMILESNCCCN1CCc2cccc(OCc3ccccc3)c21
InChIInChI=1S/C18H22N2O/c19-11-5-12-20-13-10-16-8-4-9-17(18(16)20)21-14-15-6-2-1-3-7-15/h1-4,6-9H,5,10-14,19H2
InChIKeyLTWAQXXTWHXRCF-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.98
Rot. Bonds6

About 3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine

3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine (PubChem CID 130246784) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine
PubChem CID130246784
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine
SMILESNCCCN1CCc2cccc(OCc3ccccc3)c21
InChIInChI=1S/C18H22N2O/c19-11-5-12-20-13-10-16-8-4-9-17(18(16)20)21-14-15-6-2-1-3-7-15/h1-4,6-9H,5,10-14,19H2
InChIKeyLTWAQXXTWHXRCF-UHFFFAOYSA-N
XLogP2.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 83752989
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride
CID 164512461
1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole
CID 54488605
3-[4-[(1-butyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]-2-fluorophenyl]propanal
CID 89062958
3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol
CID 18676477
1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine
CID 61359358
(2-fluoro-6-phenylmethoxyphenyl)methanamine
CID 23071556
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
7-bromo-3-methyl-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine
CID 91591578
3-(2,3,7,8-tetrahydrofuro[2,3-g]indol-1-yl)propan-1-amine
CID 70110776
3-[4-[[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]phenyl]propanoic acid
CID 59368802

Frequently Asked Questions

What is the IUPAC name of 3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine?
The IUPAC name of 3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine (CID 130246784) is 3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine?
The canonical SMILES for 3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine is NCCCN1CCc2cccc(OCc3ccccc3)c21.
What is the InChIKey of 3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine?
The InChIKey is LTWAQXXTWHXRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-11-5-12-20-13-10-16-8-4-9-17(18(16)20)21-14-15-6-2-1-3-7-15/h1-4,6-9H,5,10-14,19H2.
What are the key properties of 3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine?
3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine has a molecular weight of 282.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine is sourced from PubChem (CID 130246784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).