N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine

C17H18N2O — CID 82539031

IUPACN-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine
SMILESCOc1ccc(CNc2ccc3c(ccn3C)c2)cc1
InChIInChI=1S/C17H18N2O/c1-19-10-9-14-11-15(5-8-17(14)19)18-12-13-3-6-16(20-2)7-4-13/h3-11,18H,12H2,1-2H3
InChIKeyXXHWAQGRTMUILZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.80
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine

N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine (PubChem CID 82539031) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine
PubChem CID82539031
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine
SMILESCOc1ccc(CNc2ccc3c(ccn3C)c2)cc1
InChIInChI=1S/C17H18N2O/c1-19-10-9-14-11-15(5-8-17(14)19)18-12-13-3-6-16(20-2)7-4-13/h3-11,18H,12H2,1-2H3
InChIKeyXXHWAQGRTMUILZ-UHFFFAOYSA-N
XLogP3.80
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine
CID 82538657
5-methoxy-1-methylindole
CID 819864
6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 22433803
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
1-methyl-N-(2-phenylethyl)indol-5-amine
CID 82539257
2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
CID 43743650
1-[(1-methylindol-5-yl)amino]propan-2-ol
CID 82539777
4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 142720853
N-[(4-methoxyphenyl)methyl]-6-phenylmethoxynaphthalen-2-amine
CID 25139545
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine
CID 2881374
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine (CID 82539031) is N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine is COc1ccc(CNc2ccc3c(ccn3C)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine?
The InChIKey is XXHWAQGRTMUILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-19-10-9-14-11-15(5-8-17(14)19)18-12-13-3-6-16(20-2)7-4-13/h3-11,18H,12H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine?
N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine has a molecular weight of 266.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine is sourced from PubChem (CID 82539031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).