N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline

C16H15IN2 — CID 102909680

IUPACN-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline
SMILESCc1ccc(NCc2ccc3cc[nH]c3c2)cc1I
InChIInChI=1S/C16H15IN2/c1-11-2-5-14(9-15(11)17)19-10-12-3-4-13-6-7-18-16(13)8-12/h2-9,18-19H,10H2,1H3
InChIKeyAYTSKZFEIGGVJC-UHFFFAOYSA-N
MW362.21 g/mol
LogP4.69
Rot. Bonds3

About N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline

N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline (PubChem CID 102909680) has the molecular formula C16H15IN2 and a molecular weight of 362.21 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline
PubChem CID102909680
Molecular FormulaC16H15IN2
Molecular Weight362.21 g/mol
Exact Mass362.03
IUPAC NameN-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline
SMILESCc1ccc(NCc2ccc3cc[nH]c3c2)cc1I
InChIInChI=1S/C16H15IN2/c1-11-2-5-14(9-15(11)17)19-10-12-3-4-13-6-7-18-16(13)8-12/h2-9,18-19H,10H2,1H3
InChIKeyAYTSKZFEIGGVJC-UHFFFAOYSA-N
XLogP4.69
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 102911672
N-(1H-indol-6-ylmethyl)aniline
CID 29012556
3-iodo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 43230338
N-[(3-bromo-4-methylphenyl)methyl]-3-iodo-4-methylaniline
CID 105401249
4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 107619291
2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 102910164
3-chloro-4-ethoxy-N-(1H-indol-6-ylmethyl)aniline
CID 102910079
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine
CID 174726485
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-[(3-chloro-4-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 81144509
N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline
CID 102909173

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline?
The IUPAC name of N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline (CID 102909680) is N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline?
The canonical SMILES for N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline is Cc1ccc(NCc2ccc3cc[nH]c3c2)cc1I.
What is the InChIKey of N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline?
The InChIKey is AYTSKZFEIGGVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2/c1-11-2-5-14(9-15(11)17)19-10-12-3-4-13-6-7-18-16(13)8-12/h2-9,18-19H,10H2,1H3.
What are the key properties of N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline?
N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline has a molecular weight of 362.21 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline is sourced from PubChem (CID 102909680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).