3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine

C18H20N2S — CID 106012192

IUPAC3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine
SMILESCCc1ccc(CNCc2cc3ccccc3cc2N)s1
InChIInChI=1S/C18H20N2S/c1-2-16-7-8-17(21-16)12-20-11-15-9-13-5-3-4-6-14(13)10-18(15)19/h3-10,20H,2,11-12,19H2,1H3
InChIKeyFMNHIMAXBCJOIC-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.34
Rot. Bonds5

About 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine

3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine (PubChem CID 106012192) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine.

Molecular Properties

Compound Name3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine
PubChem CID106012192
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine
SMILESCCc1ccc(CNCc2cc3ccccc3cc2N)s1
InChIInChI=1S/C18H20N2S/c1-2-16-7-8-17(21-16)12-20-11-15-9-13-5-3-4-6-14(13)10-18(15)19/h3-10,20H,2,11-12,19H2,1H3
InChIKeyFMNHIMAXBCJOIC-UHFFFAOYSA-N
XLogP4.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine
CID 65241599
5-bromo-2-[[(5-ethylthiophen-2-yl)methylamino]methyl]aniline
CID 114137152
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 65246641
2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]aniline
CID 114137154
N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 28586498
N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 60957947
3-[(cyclopropylmethylamino)methyl]naphthalen-2-amine
CID 61213693
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine
CID 106012038
1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide
CID 106006785
3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide
CID 106010810
2-[3-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenyl]acetic acid
CID 22246758

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine?
The IUPAC name of 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine (CID 106012192) is 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine.
What is the SMILES notation for 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine?
The canonical SMILES for 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine is CCc1ccc(CNCc2cc3ccccc3cc2N)s1.
What is the InChIKey of 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine?
The InChIKey is FMNHIMAXBCJOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-2-16-7-8-17(21-16)12-20-11-15-9-13-5-3-4-6-14(13)10-18(15)19/h3-10,20H,2,11-12,19H2,1H3.
What are the key properties of 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine?
3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine has a molecular weight of 296.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine is sourced from PubChem (CID 106012192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).