N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine

C18H19NS — CID 63425907

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine
SMILESCCc1ccc(C(C)Nc2ccc3ccccc3c2)s1
InChIInChI=1S/C18H19NS/c1-3-17-10-11-18(20-17)13(2)19-16-9-8-14-6-4-5-7-15(14)12-16/h4-13,19H,3H2,1-2H3
InChIKeyBQTGTCXGUUYHAN-UHFFFAOYSA-N
MW281.42 g/mol
LogP5.64
Rot. Bonds4

About N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine

N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine (PubChem CID 63425907) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine
PubChem CID63425907
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine
SMILESCCc1ccc(C(C)Nc2ccc3ccccc3c2)s1
InChIInChI=1S/C18H19NS/c1-3-17-10-11-18(20-17)13(2)19-16-9-8-14-6-4-5-7-15(14)12-16/h4-13,19H,3H2,1-2H3
InChIKeyBQTGTCXGUUYHAN-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.42
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline
CID 61333163
3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline
CID 55186067
N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline
CID 61334130
3-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 104775686
N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 61335117
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-ethynylaniline
CID 61334720
1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376974
3,5-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 107572802
N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline
CID 61335118
4-[1-(5-ethylthiophen-2-yl)ethylamino]benzoic acid
CID 61333563
3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-nitroaniline
CID 82864654
N-[4-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylphenyl]acetamide
CID 61334340

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine (CID 63425907) is N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine is CCc1ccc(C(C)Nc2ccc3ccccc3c2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine?
The InChIKey is BQTGTCXGUUYHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-3-17-10-11-18(20-17)13(2)19-16-9-8-14-6-4-5-7-15(14)12-16/h4-13,19H,3H2,1-2H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine has a molecular weight of 281.42 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine is sourced from PubChem (CID 63425907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).