N-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride

C21H27ClN2O2 — CID 67885092

IUPACN-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
SMILESCOc1ccc(CCNC2CCc3c(cccc3NC(C)=O)C2)cc1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-15(24)23-21-5-3-4-17-14-18(8-11-20(17)21)22-13-12-16-6-9-19(25-2)10-7-16;/h3-7,9-10,18,22H,8,11-14H2,1-2H3,(H,23,24);1H
InChIKeyHXJRGURGXKLWTB-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.77
Rot. Bonds6

About N-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride

N-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride (PubChem CID 67885092) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
PubChem CID67885092
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC NameN-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
SMILESCOc1ccc(CCNC2CCc3c(cccc3NC(C)=O)C2)cc1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-15(24)23-21-5-3-4-17-14-18(8-11-20(17)21)22-13-12-16-6-9-19(25-2)10-7-16;/h3-7,9-10,18,22H,8,11-14H2,1-2H3,(H,23,24);1H
InChIKeyHXJRGURGXKLWTB-UHFFFAOYSA-N
XLogP3.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 19773305
N-(5-acetamido-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 19773270
N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 19696146
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618
5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24880718
N-[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836484
N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide
CID 98015785
N-[6-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836522
(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984
N-methyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836546

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride (CID 67885092) is N-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride is COc1ccc(CCNC2CCc3c(cccc3NC(C)=O)C2)cc1.Cl.
What is the InChIKey of N-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
The InChIKey is HXJRGURGXKLWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-15(24)23-21-5-3-4-17-14-18(8-11-20(17)21)22-13-12-16-6-9-19(25-2)10-7-16;/h3-7,9-10,18,22H,8,11-14H2,1-2H3,(H,23,24);1H.
What are the key properties of N-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
N-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 67885092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).