(2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C17H18Cl2N+ — CID 7320166

IUPAC(2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESClc1ccc(C[NH2+][C@H]2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H17Cl2N/c18-14-9-8-13(16(19)10-14)11-20-17-7-3-5-12-4-1-2-6-15(12)17/h1-2,4,6,8-10,17,20H,3,5,7,11H2/p+1/t17-/m0/s1
InChIKeyWCNPOCSEYVAHPI-KRWDZBQOSA-O
MW307.24 g/mol
LogP4.13
Rot. Bonds3

About (2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

(2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 7320166) has the molecular formula C17H18Cl2N+ and a molecular weight of 307.24 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID7320166
Molecular FormulaC17H18Cl2N+
Molecular Weight307.24 g/mol
Exact Mass306.08
IUPAC Name(2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESClc1ccc(C[NH2+][C@H]2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H17Cl2N/c18-14-9-8-13(16(19)10-14)11-20-17-7-3-5-12-4-1-2-6-15(12)17/h1-2,4,6,8-10,17,20H,3,5,7,11H2/p+1/t17-/m0/s1
InChIKeyWCNPOCSEYVAHPI-KRWDZBQOSA-O
XLogP4.13
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7322208
(5-bromo-2-methoxyphenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 6594947
2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 46230878
(3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 6941881
N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106862360
5-bromo-6-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 114857930
5-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
CID 62100757
2-(4-chloro-2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100671726
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 103047992
[(2S)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7907512
[(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2520480
5-chloro-6-[(2-chloro-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63460777

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of (2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 7320166) is (2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for (2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for (2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is Clc1ccc(C[NH2+][C@H]2CCCc3ccccc32)c(Cl)c1.
What is the InChIKey of (2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is WCNPOCSEYVAHPI-KRWDZBQOSA-O. The full InChI is InChI=1S/C17H17Cl2N/c18-14-9-8-13(16(19)10-14)11-20-17-7-3-5-12-4-1-2-6-15(12)17/h1-2,4,6,8-10,17,20H,3,5,7,11H2/p+1/t17-/m0/s1.
What are the key properties of (2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
(2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 307.24 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 7320166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).