3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol

C13H18N2O2 — CID 170875278

IUPAC3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol
SMILESCOc1ccc2c(c1)c(C(N)CCO)cn2C
InChIInChI=1S/C13H18N2O2/c1-15-8-11(12(14)5-6-16)10-7-9(17-2)3-4-13(10)15/h3-4,7-8,12,16H,5-6,14H2,1-2H3
InChIKeyNKWDYHNYUDJBHM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.57
Rot. Bonds4

About 3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol

3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol (PubChem CID 170875278) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol
PubChem CID170875278
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol
SMILESCOc1ccc2c(c1)c(C(N)CCO)cn2C
InChIInChI=1S/C13H18N2O2/c1-15-8-11(12(14)5-6-16)10-7-9(17-2)3-4-13(10)15/h3-4,7-8,12,16H,5-6,14H2,1-2H3
InChIKeyNKWDYHNYUDJBHM-UHFFFAOYSA-N
XLogP1.57
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
CID 170894776
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55264441
3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol
CID 84681414
2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile
CID 84757475
2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol
CID 82278870
3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170875043
(5-methoxy-1-methylindol-3-yl)boronic acid
CID 58933386
2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid
CID 84748283
3-bromo-5-methoxy-1-methylindole
CID 67003649
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol (CID 170875278) is 3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol is COc1ccc2c(c1)c(C(N)CCO)cn2C.
What is the InChIKey of 3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol?
The InChIKey is NKWDYHNYUDJBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15-8-11(12(14)5-6-16)10-7-9(17-2)3-4-13(10)15/h3-4,7-8,12,16H,5-6,14H2,1-2H3.
What are the key properties of 3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol?
3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol has a molecular weight of 234.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol is sourced from PubChem (CID 170875278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).