2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol

C19H27ClN2O — CID 59964249

IUPAC2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol
SMILESCCN(CCO)CCCC(C)Nc1cccc2cc(Cl)ccc12
InChIInChI=1S/C19H27ClN2O/c1-3-22(12-13-23)11-5-6-15(2)21-19-8-4-7-16-14-17(20)9-10-18(16)19/h4,7-10,14-15,21,23H,3,5-6,11-13H2,1-2H3
InChIKeyOBEQTXVYCNJXNZ-UHFFFAOYSA-N
MW334.89 g/mol
LogP4.39
Rot. Bonds9

About 2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol

2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol (PubChem CID 59964249) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol
PubChem CID59964249
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol
SMILESCCN(CCO)CCCC(C)Nc1cccc2cc(Cl)ccc12
InChIInChI=1S/C19H27ClN2O/c1-3-22(12-13-23)11-5-6-15(2)21-19-8-4-7-16-14-17(20)9-10-18(16)19/h4,7-10,14-15,21,23H,3,5-6,11-13H2,1-2H3
InChIKeyOBEQTXVYCNJXNZ-UHFFFAOYSA-N
XLogP4.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 129412307
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;phosphoric acid
CID 71586887
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
CID 178050529
2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol
CID 20650144
1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
CID 153353135
2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-(1,1,2,2,2-pentadeuterioethyl)amino]ethanol
CID 169441702
2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]-1,1,2,2-tetradeuterioethanol
CID 171394724
butanedioic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69171566
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-[2-(prop-1-en-2-ylamino)oxyethyl]pentane-1,4-diamine
CID 146188349
4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 23422070
1-N-(6-chloronaphthalen-1-yl)-4-N,4-N-diethylpentane-1,4-diamine
CID 22215460
4-N-(7-chloro-3-tritioquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 10087451

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol?
The IUPAC name of 2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol (CID 59964249) is 2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol.
What is the SMILES notation for 2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol?
The canonical SMILES for 2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol is CCN(CCO)CCCC(C)Nc1cccc2cc(Cl)ccc12.
What is the InChIKey of 2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol?
The InChIKey is OBEQTXVYCNJXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-3-22(12-13-23)11-5-6-15(2)21-19-8-4-7-16-14-17(20)9-10-18(16)19/h4,7-10,14-15,21,23H,3,5-6,11-13H2,1-2H3.
What are the key properties of 2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol?
2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol has a molecular weight of 334.89 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol is sourced from PubChem (CID 59964249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).