N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine

C15H21ClN2O — CID 114940997

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H21ClN2O/c1-4-19-15(2,3)10-17-8-11-9-18-14-7-12(16)5-6-13(11)14/h5-7,9,17-18H,4,8,10H2,1-3H3
InChIKeyBIKMFQBWQIWOPZ-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.73
Rot. Bonds6

About N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine

N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine (PubChem CID 114940997) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
PubChem CID114940997
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H21ClN2O/c1-4-19-15(2,3)10-17-8-11-9-18-14-7-12(16)5-6-13(11)14/h5-7,9,17-18H,4,8,10H2,1-3H3
InChIKeyBIKMFQBWQIWOPZ-UHFFFAOYSA-N
XLogP3.73
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237
N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 78968570
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
6-chloro-3-(ethoxymethyl)-1H-indole
CID 117178595
N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine
CID 102695801
N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 78974959
N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941490
3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol
CID 78971605
N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 113487350
1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106369834
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine
CID 114107722
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline
CID 78968568

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine (CID 114940997) is N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine is CCOC(C)(C)CNCc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The InChIKey is BIKMFQBWQIWOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-4-19-15(2,3)10-17-8-11-9-18-14-7-12(16)5-6-13(11)14/h5-7,9,17-18H,4,8,10H2,1-3H3.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine?
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine has a molecular weight of 280.80 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 114940997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).