1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol

C14H18N2O — CID 63295277

IUPAC1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol
SMILESOC(CNCc1c[nH]c2ccccc12)C1CC1
InChIInChI=1S/C14H18N2O/c17-14(10-5-6-10)9-15-7-11-8-16-13-4-2-1-3-12(11)13/h1-4,8,10,14-17H,5-7,9H2
InChIKeyBHZWPFVRSBWOEQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.03
Rot. Bonds5

About 1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol

1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol (PubChem CID 63295277) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol
PubChem CID63295277
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol
SMILESOC(CNCc1c[nH]c2ccccc12)C1CC1
InChIInChI=1S/C14H18N2O/c17-14(10-5-6-10)9-15-7-11-8-16-13-4-2-1-3-12(11)13/h1-4,8,10,14-17H,5-7,9H2
InChIKeyBHZWPFVRSBWOEQ-UHFFFAOYSA-N
XLogP2.03
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol
CID 115120563
1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol
CID 115121376
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol
CID 106284510
(1H-indol-3-ylmethylamino)methanol
CID 115228988
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide
CID 111425971
3-(1H-indol-3-ylmethylamino)-2-methylpropanenitrile
CID 62646036
1-N-(1H-indol-3-ylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 55024666
N-(1H-indol-3-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 61034726
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
1-cyclohexyl-N-(1H-indol-3-ylmethyl)ethanamine
CID 62407326
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol (CID 63295277) is 1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol is OC(CNCc1c[nH]c2ccccc12)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol?
The InChIKey is BHZWPFVRSBWOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(10-5-6-10)9-15-7-11-8-16-13-4-2-1-3-12(11)13/h1-4,8,10,14-17H,5-7,9H2.
What are the key properties of 1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol?
1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol has a molecular weight of 230.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol is sourced from PubChem (CID 63295277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).