N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine

C14H19ClN2 — CID 76846630

IUPACN-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C14H19ClN2/c1-14(2,3)17-8-7-10-9-16-13-11(10)5-4-6-12(13)15/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeyUKZFBAYVSUAYJQ-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.75
Rot. Bonds3

About N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine

N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 76846630) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
PubChem CID76846630
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC NameN-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C14H19ClN2/c1-14(2,3)17-8-7-10-9-16-13-11(10)5-4-6-12(13)15/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeyUKZFBAYVSUAYJQ-UHFFFAOYSA-N
XLogP3.75
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-3-(2-cyclopentylethyl)-1H-indole
CID 106984980
2-(7-chloro-1H-indol-3-yl)acetonitrile
CID 10559597
1-[2-(7-chloro-1H-indol-3-yl)ethyl]cyclopropan-1-amine
CID 105495625
2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline
CID 143759207
N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 146093918
N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide
CID 146093926
2-(7-chloro-1H-indol-3-yl)acetamide
CID 10703607
(3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 138057346
3-bromo-7-chloro-1H-indole
CID 2763282
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide
CID 145099551
2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine
CID 59493253

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine (CID 76846630) is N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1c[nH]c2c(Cl)cccc12.
What is the InChIKey of N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is UKZFBAYVSUAYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-14(2,3)17-8-7-10-9-16-13-11(10)5-4-6-12(13)15/h4-6,9,16-17H,7-8H2,1-3H3.
What are the key properties of N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 250.77 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 76846630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).