2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine

C19H28ClN3 — CID 83987539

IUPAC2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
SMILESCC(C)CN1CCCCC1C(CN)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H28ClN3/c1-13(2)12-23-8-4-3-5-19(23)16(10-21)17-11-22-18-7-6-14(20)9-15(17)18/h6-7,9,11,13,16,19,22H,3-5,8,10,12,21H2,1-2H3
InChIKeyMWGDGMXQIVGOMX-UHFFFAOYSA-N
MW333.91 g/mol
LogP4.37
Rot. Bonds5

About 2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine

2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine (PubChem CID 83987539) has the molecular formula C19H28ClN3 and a molecular weight of 333.91 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
PubChem CID83987539
Molecular FormulaC19H28ClN3
Molecular Weight333.91 g/mol
Exact Mass333.20
IUPAC Name2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
SMILESCC(C)CN1CCCCC1C(CN)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H28ClN3/c1-13(2)12-23-8-4-3-5-19(23)16(10-21)17-11-22-18-7-6-14(20)9-15(17)18/h6-7,9,11,13,16,19,22H,3-5,8,10,12,21H2,1-2H3
InChIKeyMWGDGMXQIVGOMX-UHFFFAOYSA-N
XLogP4.37
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.91
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986706
2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82496887
4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol
CID 83987245
2-(3,4-dimethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986310
(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-chloro-1H-indol-3-yl)-3-hydroxypropan-1-one
CID 123327028
2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid
CID 42650356
2-(1-ethylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986506
2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986705
3-(5-chloro-1H-indol-3-yl)-3-cyclohexyl-N-(2-morpholin-4-ylethyl)propanamide
CID 83289116
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 113087458
(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol
CID 82758549

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine (CID 83987539) is 2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine is CC(C)CN1CCCCC1C(CN)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine?
The InChIKey is MWGDGMXQIVGOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3/c1-13(2)12-23-8-4-3-5-19(23)16(10-21)17-11-22-18-7-6-14(20)9-15(17)18/h6-7,9,11,13,16,19,22H,3-5,8,10,12,21H2,1-2H3.
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine?
2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine has a molecular weight of 333.91 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 83987539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).