(6-methyl-1-propan-2-ylindol-2-yl)methanamine

C13H18N2 — CID 117122698

IUPAC(6-methyl-1-propan-2-ylindol-2-yl)methanamine
SMILESCc1ccc2cc(CN)n(C(C)C)c2c1
InChIInChI=1S/C13H18N2/c1-9(2)15-12(8-14)7-11-5-4-10(3)6-13(11)15/h4-7,9H,8,14H2,1-3H3
InChIKeyLIHNCQBHTMTQQN-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.99
Rot. Bonds2

About (6-methyl-1-propan-2-ylindol-2-yl)methanamine

(6-methyl-1-propan-2-ylindol-2-yl)methanamine (PubChem CID 117122698) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (6-methyl-1-propan-2-ylindol-2-yl)methanamine.

Molecular Properties

Compound Name(6-methyl-1-propan-2-ylindol-2-yl)methanamine
PubChem CID117122698
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(6-methyl-1-propan-2-ylindol-2-yl)methanamine
SMILESCc1ccc2cc(CN)n(C(C)C)c2c1
InChIInChI=1S/C13H18N2/c1-9(2)15-12(8-14)7-11-5-4-10(3)6-13(11)15/h4-7,9H,8,14H2,1-3H3
InChIKeyLIHNCQBHTMTQQN-UHFFFAOYSA-N
XLogP2.99
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(6-methyl-1-propan-2-ylindol-2-yl)methanamine
CID 117185996
2-(ethoxymethyl)-6-methyl-1-propan-2-ylindole
CID 117186061
6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117186009
3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117186036
(5-methoxy-1-propan-2-ylindol-2-yl)methanamine
CID 83860138
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117180699
2-(1-propan-2-ylindol-2-yl)ethanamine
CID 83860167
1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one
CID 117196062
N-methyl-1-(5-methyl-1-propan-2-ylindol-2-yl)propan-2-amine
CID 117195171
2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine
CID 117180819
2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol
CID 117180764

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1-propan-2-ylindol-2-yl)methanamine?
The IUPAC name of (6-methyl-1-propan-2-ylindol-2-yl)methanamine (CID 117122698) is (6-methyl-1-propan-2-ylindol-2-yl)methanamine.
What is the SMILES notation for (6-methyl-1-propan-2-ylindol-2-yl)methanamine?
The canonical SMILES for (6-methyl-1-propan-2-ylindol-2-yl)methanamine is Cc1ccc2cc(CN)n(C(C)C)c2c1.
What is the InChIKey of (6-methyl-1-propan-2-ylindol-2-yl)methanamine?
The InChIKey is LIHNCQBHTMTQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(2)15-12(8-14)7-11-5-4-10(3)6-13(11)15/h4-7,9H,8,14H2,1-3H3.
What are the key properties of (6-methyl-1-propan-2-ylindol-2-yl)methanamine?
(6-methyl-1-propan-2-ylindol-2-yl)methanamine has a molecular weight of 202.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1-propan-2-ylindol-2-yl)methanamine is sourced from PubChem (CID 117122698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).