N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine

C15H21ClN2 — CID 106328237

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H21ClN2/c1-4-15(3,5-2)18-10-11-9-17-14-8-12(16)6-7-13(11)14/h6-9,17-18H,4-5,10H2,1-3H3
InChIKeyTVOXMDKXJDIHSF-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.49
Rot. Bonds5

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

N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine (PubChem CID 106328237) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
PubChem CID106328237
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H21ClN2/c1-4-15(3,5-2)18-10-11-9-17-14-8-12(16)6-7-13(11)14/h6-9,17-18H,4-5,10H2,1-3H3
InChIKeyTVOXMDKXJDIHSF-UHFFFAOYSA-N
XLogP4.49
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940997
N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 78968570
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline
CID 78968568
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine
CID 114107722
6-chloro-3-(ethoxymethyl)-1H-indole
CID 117178595
3,5-dichloro-N-[(6-chloro-1H-indol-3-yl)methyl]-4-fluoroaniline
CID 107572650
N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647861
2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol
CID 65317553
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylcyclohexan-1-amine
CID 78968600
6-chloro-3-(3-methylbut-2-enyl)-1H-indole
CID 11074898

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine (CID 106328237) is N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine is CCC(C)(CC)NCc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine?
The InChIKey is TVOXMDKXJDIHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-4-15(3,5-2)18-10-11-9-17-14-8-12(16)6-7-13(11)14/h6-9,17-18H,4-5,10H2,1-3H3.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine?
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine has a molecular weight of 264.80 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine is sourced from PubChem (CID 106328237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).