N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline

C16H20N2 — CID 117027291

IUPACN-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1Nc1cccc(CN)c1
InChIInChI=1S/C16H20N2/c1-3-14-8-4-6-12(2)16(14)18-15-9-5-7-13(10-15)11-17/h4-10,18H,3,11,17H2,1-2H3
InChIKeyFEXOTYKDBMHBMX-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.76
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline

N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline (PubChem CID 117027291) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline
PubChem CID117027291
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1Nc1cccc(CN)c1
InChIInChI=1S/C16H20N2/c1-3-14-8-4-6-12(2)16(14)18-15-9-5-7-13(10-15)11-17/h4-10,18H,3,11,17H2,1-2H3
InChIKeyFEXOTYKDBMHBMX-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-diethyl-N-(3-ethylphenyl)aniline
CID 139833761
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3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide
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2,6-diethyl-N-phenylaniline
CID 45095580
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
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CID 139620226
4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903019
1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 60979279
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-(aminomethyl)phenyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline (CID 117027291) is N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline is CCc1cccc(C)c1Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline?
The InChIKey is FEXOTYKDBMHBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-14-8-4-6-12(2)16(14)18-15-9-5-7-13(10-15)11-17/h4-10,18H,3,11,17H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline?
N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline has a molecular weight of 240.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline is sourced from PubChem (CID 117027291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).