(3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium

C19H19ClNO+ — CID 7480326

IUPAC(3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium
SMILESC[NH+](Cc1cccc(Cl)c1)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C19H18ClNO/c1-21(12-14-5-4-7-16(20)11-14)13-18-17-8-3-2-6-15(17)9-10-19(18)22/h2-11,22H,12-13H2,1H3/p+1
InChIKeyICYOVKDAHZIIOO-UHFFFAOYSA-O
MW312.82 g/mol
LogP3.41
Rot. Bonds4

About (3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium

(3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium (PubChem CID 7480326) has the molecular formula C19H19ClNO+ and a molecular weight of 312.82 g/mol. Its IUPAC name is (3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium.

Molecular Properties

Compound Name(3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium
PubChem CID7480326
Molecular FormulaC19H19ClNO+
Molecular Weight312.82 g/mol
Exact Mass312.11
IUPAC Name(3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium
SMILESC[NH+](Cc1cccc(Cl)c1)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C19H18ClNO/c1-21(12-14-5-4-7-16(20)11-14)13-18-17-8-3-2-6-15(17)9-10-19(18)22/h2-11,22H,12-13H2,1H3/p+1
InChIKeyICYOVKDAHZIIOO-UHFFFAOYSA-O
XLogP3.41
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium
CID 2515433
benzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium
CID 7322225
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2845612
1-[(3-chlorophenyl)methyl]naphthalene
CID 173131881
[3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium
CID 6947758
2-(3-chlorophenyl)-1-(2-methylnaphthalen-1-yl)ethanol
CID 81430142
1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene
CID 43505675
1-(3-chlorophenyl)sulfanylnaphthalen-2-ol
CID 172795300
[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251257
N-(3-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide
CID 19022893
2-[(3-chlorophenyl)methyl]isoindol-1-ol
CID 91493733
(2-chloro-6-fluorophenyl)methyl-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197396

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium?
The IUPAC name of (3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium (CID 7480326) is (3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium.
What is the SMILES notation for (3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium?
The canonical SMILES for (3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium is C[NH+](Cc1cccc(Cl)c1)Cc1c(O)ccc2ccccc12.
What is the InChIKey of (3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium?
The InChIKey is ICYOVKDAHZIIOO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18ClNO/c1-21(12-14-5-4-7-16(20)11-14)13-18-17-8-3-2-6-15(17)9-10-19(18)22/h2-11,22H,12-13H2,1H3/p+1.
What are the key properties of (3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium?
(3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium has a molecular weight of 312.82 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium is sourced from PubChem (CID 7480326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).